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Records |
Links |
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Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
Ab initio study of shallow acceptors in bixbyite V2O3 |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
117 |
Issue |
117 |
Pages |
015703 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present the results of our study on p-type dopability of bixbyite V2O3 using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) within the density functional theory (DFT) formalism. We study vanadium and oxygen vacancies as intrinsic defects and substitutional Mg, Sc, and Y as extrinsic defects. We find that Mg substituting V acts as a shallow acceptor, and that oxygen vacancies are electrically neutral. Hence, we predict Mg-doped V2O3 to be a p-type conductor. Our results also show that vanadium vacancies are relatively shallow, with a binding energy of 0.14 eV, so that they might also lead to p-type conductivity. |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000347958600067 |
Publication Date |
2015-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979;1089-7550; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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Notes |
FWO G015013; Hercules |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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Call Number |
c:irua:122728 |
Serial |
35 |
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Permanent link to this record |
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Author |
Gonzalez, A.; Partoens, B.; Peeters, F.M. |
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Title |
Padé approximants for the groundstate energy of closed-shell quantum dots |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
56 |
Issue |
|
Pages |
15740-15743 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000071251000036 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 1997 IF: NA |
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Call Number |
UA @ lucian @ c:irua:19270 |
Serial |
2550 |
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Permanent link to this record |
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Author |
Bafekry, A.; Nguyen, C.; Obeid, M.M.; Ghergherehchi, M. |
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Title |
Modulating the electro-optical properties of doped C₃N monolayers and graphene bilayersviamechanical strain and pressure |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
New Journal Of Chemistry |
Abbreviated Journal |
New J Chem |
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Volume |
44 |
Issue |
36 |
Pages |
15785-15792 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this work, we investigated systematically the electronic and optical properties of B doped C3N monolayers as well as B and N doped graphene bilayers (BN-Gr@2L). We found that the doping of B atoms leads to an enlarged band gap of the C3N monolayer and when the dopant concentration reaches 12.5%, an indirect-to-direct band gap switching occurs. In addition, with co-doping of B and N atoms on the graphene monolayer in the hexagonal configuration, an electronic transition from semi-metal to semiconductor occurs. Our optical results for B-C3N show a broad absorption spectrum in a wide visible range starting from 400 nm to 1000 nm with strong absorption intensity, making it a suitable candidate for nanoelectronic and optoelectronic applications. Interestingly, a transition from semi-metal to semiconductor emerges in the graphene monolayer with doping of B and N atoms. Furthermore, our results demonstrate that the in-plane strain and out-of-plane strain (pressure) can modulate the band gap of the BN-Gr@2L. The controllable electronic properties and optical features of the doped graphene bilayer by strain engineering may facilitate their practical performance for various applications in future. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000571972400054 |
Publication Date |
2020-08-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1144-0546 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
7 |
Open Access |
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Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 3.3; 2020 IF: 3.269 |
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Call Number |
UA @ admin @ c:irua:171936 |
Serial |
6561 |
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Permanent link to this record |
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Author |
Nakhaee, M.; Yagmurcukardes, M.; Ketabi, S.A.; Peeters, F.M. |
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Title |
Single-layer structures of a100- and b010-Gallenene : a tight-binding approach |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
21 |
Issue |
28 |
Pages |
15798-15804 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the simplified linear combination of atomic orbitals (LCAO) method in combination with ab initio calculations, we construct a tight-binding (TB) model for two different crystal structures of monolayer gallium: a(100)- and b(010)-Gallenene. The analytical expression for the Hamiltonian and numerical results for the overlap matrix elements between different orbitals of the Ga atoms and for the Slater and Koster (SK) integrals are obtained. We find that the compaction of different structures affects significantly the formation of the orbitals. The results for a(100)-Gallenene can be very well explained with an orthogonal basis set, while for b(010)-Gallenene we have to assume a non-orthogonal basis set in order to construct the TB model. Moreover, the transmission properties of nanoribbons of both monolayers oriented along the AC and ZZ directions are also investigated and it is shown that both AC- and ZZ-b(010)-Gallenene nanoribbons exhibit semiconducting behavior with zero transmission while those of a(100)-Gallenene nanoribbons are metallic. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000476603700057 |
Publication Date |
2019-06-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
14 |
Open Access |
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Notes |
; This work is supported by the Methusalem program of the Flemish government and the FLAG-ERA project TRANS-2D-TMD. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M. Y.). M. N. is partially supported by BFO (Uantwerpen). ; |
Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:161881 |
Serial |
5427 |
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Permanent link to this record |
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Author |
Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A. |
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Title |
Magnus induced diode effect for skyrmions in channels with periodic potentials |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
35 |
Issue |
1 |
Pages |
015804-15810 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using a particle based model, we investigate the skyrmion dynamical behavior in a channel where the upper wall contains divots of one depth and the lower wall contains divots of a different depth. Under an applied driving force, skyrmions in the channels move with a finite skyrmion Hall angle that deflects them toward the upper wall for -x direction driving and the lower wall for +x direction driving. When the upper divots have zero height, the skyrmions are deflected against the flat upper wall for -x direction driving and the skyrmion velocity depends linearly on the drive. For +x direction driving, the skyrmions are pushed against the lower divots and become trapped, giving reduced velocities and a nonlinear velocity-force response. When there are shallow divots on the upper wall and deep divots on the lower wall, skyrmions get trapped for both driving directions; however, due to the divot depth difference, skyrmions move more easily under -x direction driving, and become strongly trapped for +x direction driving. The preferred -x direction motion produces what we call a Magnus diode effect since it vanishes in the limit of zero Magnus force, unlike the diode effects observed for asymmetric sawtooth potentials. We show that the transport curves can exhibit a series of jumps or dips, negative differential conductivity, and reentrant pinning due to collective trapping events. We also discuss how our results relate to recent continuum modeling on a similar skyrmion diode system. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000880827900001 |
Publication Date |
2022-10-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:192031 |
Serial |
7320 |
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Permanent link to this record |
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Author |
Ghorbanfekr-Kalashami, H.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Dependence of the shape of graphene nanobubbles on trapped substance |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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Volume |
8 |
Issue |
8 |
Pages |
15844 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Van der Waals (vdW) interaction between two-dimensional crystals (2D) can trap substances in high pressurized (of order 1 GPa) on nanobubbles. Increasing the adhesion between the 2D crystals further enhances the pressure and can lead to a phase transition of the trapped material. We found that the shape of the nanobubble can depend critically on the properties of the trapped substance. In the absence of any residual strain in the top 2D crystal, flat nanobubbles can be formed by trapped long hydrocarbons (that is, hexadecane). For large nanobubbles with radius 130 nm, our atomic force microscopy measurements show nanobubbles filled with hydrocarbons (water) have a cylindrical symmetry (asymmetric) shape which is in good agreement with our molecular dynamics simulations. This study provides insights into the effects of the specific material and the vdW pressure on the microscopic details of graphene bubbles. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000403417500001 |
Publication Date |
2017-06-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
44 |
Open Access |
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Notes |
We acknowledge fruitful discussion with Irina Grigorieva and Andre K. Geim. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program, the Royal Society and the Engineering and Physical Sciences Research Council, UK (EP/K016946/1). M.N.-A. was supported by Iran National Science Foundation (INSF). |
Approved |
Most recent IF: 12.124 |
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Call Number |
CMT @ cmt @ c:irua:144189 |
Serial |
4580 |
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Permanent link to this record |
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Author |
Bogaerts, R.; Herlach, F.; de Keyser, A.; Peeters, F.M.; DeRosa, F.; Palmstrøm, C.J.; Brehmer, D.; Allen, S.J. |
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Title |
Experimental determination of the Fermi surface of thin Sc1-xErxAs epitaxial layers in pulsed magnetic fields |
Type |
A1 Journal article |
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Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
53 |
Issue |
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Pages |
15951-15963 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1996UT77000086 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
9 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:15794 |
Serial |
1137 |
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Permanent link to this record |
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Author |
Chirayath, V.A.; Callewaert, V.; Fairchild, A.J.; Chrysler, M.D.; Gladen, R.W.; Mcdonald, A.D.; Imam, S.K.; Shastry, K.; Koymen, A.R.; Saniz, R.; Barbiellini, B.; Rajeshwar, K.; Partoens, B.; Weiss, A.H. |
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Title |
Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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Volume |
8 |
Issue |
8 |
Pages |
16116 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000405398200001 |
Publication Date |
2017-07-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
20 |
Open Access |
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Notes |
The experiments in this work were supported by the grant NSF DMR 1508719. A.H.W and A.R.K. gratefully acknowledge support for the building of advanced positron beam through the grant NSF DMR MRI 1338130. V.C. and R.S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. The computational resources and services used in this work were in part provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government (EWI Department). The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. |
Approved |
Most recent IF: 12.124 |
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Call Number |
CMT @ cmt @ c:irua:144625 |
Serial |
4627 |
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Permanent link to this record |
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Author |
Amini, M.N.; Leenaerts, O.; Partoens, B.; Lamoen, D. |
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Title |
Graphane- and fluorographene-based quantum dots |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
117 |
Issue |
31 |
Pages |
16242-16247 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
With the help of first-principles calculations, we investigate graphane/fluorographene heterostructures with special attention for graphane and fluorographene-based quantum dots. Graphane and fluorographene have large electronic band gaps, and we show that their band structures exhibit a strong type-II alignment. In this way, it is possible to obtain confined electron states in fluorographene nanostructures by embedding them in a graphane crystal. Bound hole states can be created in graphane domains embedded in a fluorographene environment. For circular graphane/fluorographene quantum dots, localized states can be observed in the band gap if the size of the radii is larger than approximately 4 to 5 Å. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000323082300046 |
Publication Date |
2013-07-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
14 |
Open Access |
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Notes |
FWO; GOW; Hercules |
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
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Call Number |
UA @ lucian @ c:irua:109457 |
Serial |
1367 |
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Permanent link to this record |
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Author |
Pant, A.; Torun, E.; Chen, B.; Bhat, S.; Fan, X.; Wu, K.; Wright, D.P.; Peeters, F.M.; Soignard, E.; Sahin, H.; Tongay, S. |
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Title |
Strong dichroic emission in the pseudo one dimensional material ZrS3 |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
8 |
Issue |
8 |
Pages |
16259-16265 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Zirconium trisulphide (ZrS3), a member of the layered transition metal trichalcogenides (TMTCs) family, has been studied by angle-resolved photoluminescence spectroscopy (ARPLS). The synthesized ZrS3 layers possess a pseudo one-dimensional nature where each layer consists of ZrS3 chains extending along the b-lattice direction. Our results show that the optical properties of few-layered ZrS3 are highly anisotropic as evidenced by large PL intensity variation with the polarization direction. Light is efficiently absorbed when the E-field is polarized along the chain (b-axis), but the field is greatly attenuated and absorption is reduced when it is polarized vertical to the 1D-like chains as the wavelength of the exciting light is much longer than the width of each 1D chain. The observed PL variation with polarization is similar to that of conventional 1D materials, i.e., nanowires, and nanotubes, except for the fact that here the 1D chains interact with each other giving rise to a unique linear dichroism response that falls between the 2D (planar) and 1D (chain) limit. These results not only mark the very first demonstration of PL polarization anisotropy in 2D systems, but also provide novel insight into how the interaction between adjacent 1D-like chains and the 2D nature of each layer influences the overall optical anisotropy of pseudo-1D materials. Results are anticipated to have an impact on optical technologies such as polarized detectors, near-field imaging, communication systems, and bio-applications relying on the generation and detection of polarized light. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000384531600018 |
Publication Date |
2016-08-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2040-3364 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
54 |
Open Access |
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Notes |
; S. Tongay gratefully acknowledges support from NSF DMR-1552220. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS is supported by a FWO postdoctoral fellowship. ; |
Approved |
Most recent IF: 7.367 |
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Call Number |
UA @ lucian @ c:irua:144656 |
Serial |
4116 |
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Permanent link to this record |
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Author |
Akbali, B.; Yagmurcukardes, M.; Peeters, F.M.; Lin, H.-Y.; Lin, T.-Y.; Chen, W.-H.; Maher, S.; Chen, T.-Y.; Huang, C.-H. |
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Title |
Determining the molecular orientation on the metal nanoparticle surface through surface-enhanced Raman spectroscopy and density functional theory simulations |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
125 |
Issue |
29 |
Pages |
16289-16295 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We report here the efficacy of surface-enhanced Raman spectroscopy (SERS) measurements as a probe for molecular orientation. 4-Aminobenzoic acid (PABA) on a surface consisting of silver (Ag) nanoparticles (NPs) is investigated. We find that the orientation of the PABA molecule on the SERS substrate is estimated based on the relative change in the magnitude of the C-H stretching bands on the SERS substrate, and it is found that the molecule assumes a horizontal orientation on the Ag-NP surface. The strong molecule-metal interaction is determined by an abnormal enhanced SERS band appearing at 980 cm(-1), and the peak is assigned to an out-of-plane amine vibrational mode, which is supported by our ab initio calculations. DFT-based Raman activity calculations corroborate the SERS results, revealing that (i) the PABA molecule attaches to the surface of Ag-NPs with its alpha dimers rather than single-molecule binding and (ii) the molecule preserves its alpha dimers in an aqueous environment. Our results demonstrate that SERS can be used to gain deeper insights into the molecular orientation on metal nanoparticle surfaces. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000680445800055 |
Publication Date |
2021-07-19 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.536 |
Times cited |
9 |
Open Access |
Not_Open_Access |
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|
Notes |
|
Approved |
Most recent IF: 4.536 |
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|
Call Number |
UA @ admin @ c:irua:180455 |
Serial |
6978 |
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Permanent link to this record |
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Author |
Nazar, N.D.; Vazifehshenas, T.; Ebrahimi, M.R.; Peeters, F.M. |
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Title |
Strong anisotropic optical properties of 8-Pmmn borophene : a many-body perturbation study |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
|
Volume |
23 |
Issue |
30 |
Pages |
16417-16422 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles many-body perturbation theory, we investigate the optical properties of 8-Pmmn borophene at two levels of approximations; the GW method considering only the electron-electron interaction and the GW in combination with the Bethe-Salpeter equation including electron-hole coupling. The band structure exhibits anisotropic Dirac cones with semimetallic character. The optical absorption spectra are obtained for different light polarizations and we predict strong optical absorbance anisotropy. The absorption peaks undergo a global redshift when the electron-hole interaction is taken into account due to the formation of bound excitons which have an anisotropic excitonic wave function. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000677722700001 |
Publication Date |
2021-07-21 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
4.123 |
Times cited |
4 |
Open Access |
Not_Open_Access |
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|
Notes |
|
Approved |
Most recent IF: 4.123 |
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|
Call Number |
UA @ admin @ c:irua:180385 |
Serial |
7022 |
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Permanent link to this record |
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Author |
Hai, G.Q.; Peeters, F.M. |
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Title |
Optically detected magnetophonon resonance in polar semiconductors GaAs |
Type |
A1 Journal article |
|
Year |
1999 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
60 |
Issue |
|
Pages |
16513-16518 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
|
Wos |
000084791300045 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 3.836; 1999 IF: NA |
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|
Call Number |
UA @ lucian @ c:irua:27001 |
Serial |
2479 |
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Permanent link to this record |
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Author |
Croitoru, M.D.; Shanenko, A.A.; Vagov, A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. |
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Title |
Phonon limited superconducting correlations in metallic nanograins |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
|
|
Volume |
5 |
Issue |
5 |
Pages |
16515 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Conventional superconductivity is inevitably suppressed in ultra-small metallic grains for characteristic sizes smaller than the Anderson limit. Experiments have shown that above the Anderson limit the critical temperature may be either enhanced or reduced when decreasing the particle size, depending on the superconducting material. In addition, there is experimental evidence that whether an enhancement or a reduction is found depends on the strength of the electronphonon interaction in the bulk. We reveal how the strength of the e-ph interaction interplays with the quantum-size effect and theoretically obtain the critical temperature of the superconducting nanograins in excellent agreement with experimental data. We demonstrate that strong e-ph scattering smears the peak structure in the electronic density-of-states of a metallic grain and enhances the electron mass, and thereby limits the highest T-c achievable by quantum confinement. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000364647700001 |
Publication Date |
2015-11-13 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.259 |
Times cited |
9 |
Open Access |
|
|
|
Notes |
; This work was supported by the Belgian Science Policy (BELSPO Back to Belgium Grant), the Research Foundation Flanders (FWO), the Methusalem Foundation of the Flemish Government, TOPBOF-UA, and the bilateral project CNPq-FWO. M.D.C. acknowledges fruitful discussions with V. Z. Kresin, S. N. Klimin and V. N. Gladilin. ; |
Approved |
Most recent IF: 4.259; 2015 IF: 5.578 |
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|
Call Number |
UA @ lucian @ c:irua:129543 |
Serial |
4224 |
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Permanent link to this record |
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Author |
Nelissen, K.; Matulis, A.; Partoens, B.; Kong, M.; Peeters, F.M. |
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Title |
Spectrum of classical two-dimensional Coulomb clusters |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
73 |
Issue |
1 |
Pages |
016607,1-7 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000235008800095 |
Publication Date |
2006-01-17 |
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Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.366 |
Times cited |
33 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 2.366; 2006 IF: 2.438 |
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Call Number |
UA @ lucian @ c:irua:56611 |
Serial |
3075 |
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Permanent link to this record |
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Author |
Çakir, D.; Sahin, H.; Peeters, F.M. |
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Title |
Doping of rhenium disulfide monolayers : a systematic first principles study |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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|
Volume |
16 |
Issue |
31 |
Pages |
16771-16779 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The absence of a direct-to-indirect band gap transition in ReS2 when going from the monolayer to bulk makes it special among the other semiconducting transition metal dichalcogenides. The functionalization of this promising layered material emerges as a necessity for the next generation technological applications. Here, the structural, electronic, and magnetic properties of substitutionally doped ReS2 monolayers at either the S or Re site were systematically studied by using first principles density functional calculations. We found that substitutional doping of ReS2 depends sensitively on the growth conditions of ReS2. Among the large number of non-metallic atoms, namely H, B, C, Se, Te, F, Br, Cl, As, P. and N, we identified the most promising candidates for n-type and p-type doping of ReS2. While Cl is an ideal candidate for n-type doping, P appears to be the most promising candidate for p-type doping of the ReS2 monolayer. We also investigated the doping of ReS2 with metal atoms, namely Mo, W, Ti, V. Cr, Co, Fe, Mn, Ni, Cu, Nb, Zn, Ru, Os and Pt. Mo, Nb, Ti, and V atoms are found to be easily incorporated in a single layer of ReS2 as substitutional impurities at the Re site for all growth conditions considered in this work. Tuning chemical potentials of dopant atoms energetically makes it possible to dope ReS2 with Fe, Co, Cr, Mn, W, Ru, and Os at the Re site. We observe a robust trend for the magnetic moments when substituting a Re atom with metal atoms such that depending on the electronic configuration of dopant atoms, the net magnetic moment of the doped ReS2 becomes either 0 or 1 mu(B). Among the metallic dopants, Mo is the best candidate for p-type doping of ReS2 owing to its favorable energetics and promising electronic properties. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000340075700048 |
Publication Date |
2014-07-02 |
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Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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|
ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.123 |
Times cited |
58 |
Open Access |
|
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|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
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|
Call Number |
UA @ lucian @ c:irua:118742 |
Serial |
752 |
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Permanent link to this record |
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Author |
Doria, M.M.; de Romaguera, A.R.C.; Peeters, F.M. |
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Title |
The ground states of the two-component order parameter superconductor |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
|
|
Volume |
92 |
Issue |
1 |
Pages |
17004 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We show that in presence of an applied external field the two-component order parameter superconductor falls in two categories of ground states, namely, in the traditional Abrikosov ground state or in a new ground state fitted to describe a superconducting layer with texture, that is, patched regions separated by a phase difference of pi. The existence of these two kinds of ground states follows from the sole assumption that the total supercurrent is the sum of the two individual supercurrents and is independent of any consideration about the free energy expansion. Uniquely defined relations between the current density and the superfluid density hold for these two ground states, which also determine the magnetization in terms of average values of the order parameters. Because these ground-state conditions are also Bogomolny equations we construct the free energy for the two-component superconductor which admits the Bogomolny solution at a special coupling value. Copyright (C) EPLA, 2010 |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000284469900027 |
Publication Date |
2010-10-30 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.957 |
Times cited |
8 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 1.957; 2010 IF: 2.753 |
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|
Call Number |
UA @ lucian @ c:irua:95558 |
Serial |
3584 |
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Permanent link to this record |
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Author |
Abdullah, H.M.; Zarenia, M.; Bahlouli, H.; Peeters, F.M.; Van Duppen, B. |
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Title |
Gate tunable layer selectivity of transport in bilayer graphene nanostructures |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
|
|
Volume |
113 |
Issue |
113 |
Pages |
17006 |
|
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recently it was found that bilayer graphene may exhibit regions with and without van der Waals coupling between the two layers. We show that such structures can exhibit a strong layer selectivity when current flows through the coupled region and that this selectivity can be tuned by means of electrostatic gating. Analysing how this effect depends on the type of bilayer stacking, the potential on the gates and the smoothness of the boundary between the coupled and decoupled regions, we show that nearly perfect layer selectivity is achievable in these systems. This effect can be further used to realise a tunable layer switch. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000371479500024 |
Publication Date |
2016-01-28 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0295-5075 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.957 |
Times cited |
15 |
Open Access |
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|
|
Notes |
HMA and HB acknowledge the support of the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of King Fahd University of Petroleum and Minerals under physics research group projects RG1306-1 and RG01306-2. This work is supported by the Flemish Science Foundation (FWO-Vl) by a PhD grant (BVD) and a post-doctoral fellowship (MZ). |
Approved |
Most recent IF: 1.957 |
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|
Call Number |
c:irua:131909 c:irua:131909 |
Serial |
4037 |
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Permanent link to this record |
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Author |
Connolly, M.R.; Milošević, M.V.; Bending, S.J.; Clem, J.R.; Tamegai, T. |
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Title |
Continuum vs. discrete flux behaviour in large mesoscopic Bi2Sr2CaCu2O8+\delta disks |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
|
|
Volume |
85 |
Issue |
1 |
Pages |
17008,1-17008,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Scanning Hall probe and local Hall magnetometry measurements have been used to investigate flux distributions in large mesoscopic superconducting disks with sizes that lie near the crossover between the bulk and mesoscopic vortex regimes. Results obtained by directly mapping the magnetic induction profiles of the disks at different applied fields can be quite successfully fitted to analytic models which assume a continuous distribution of flux in the sample. At low fields, however, we do observe clear signatures of the underlying discrete vortex structure and can resolve the characteristic mesoscopic compression of vortex clusters in increasing magnetic fields. Even at higher fields, where single-vortex resolution is lost, we are still able to track configurational changes in the vortex patterns, since competing vortex orders impose unmistakable signatures on “local” magnetisation curves as a function of the applied field. Our observations are in excellent agreement with molecular-dynamics numerical simulations which lead us to a natural definition of the lengthscale for the crossover between discrete and continuum behaviours in our system. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000263692500029 |
Publication Date |
2009-01-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
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ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.957 |
Times cited |
17 |
Open Access |
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|
Notes |
|
Approved |
Most recent IF: 1.957; 2009 IF: 2.893 |
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|
Call Number |
UA @ lucian @ c:irua:76306 |
Serial |
495 |
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Permanent link to this record |
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Author |
Zhao, H.J.; Misko, V.R.; Peeters, F.M.; Dubonos, G.; Oboznov, V.; Grigorieva, I.V. |
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Title |
Vortex configurations in mesoscopic superconducting triangles: finite-size and shape effects |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
|
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Volume |
83 |
Issue |
1 |
Pages |
17008,1-17008,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Triangular-shaped mesoscopic superconductors are consistent with the symmetry of the Abrikosov vortex lattice resulting in a high stability of vortex patterns for commensurate vorticities. However, for non-commensurate vorticities, vortex configurations in triangles are not compatible with the sample shape. Here we present the first direct observation of vortex configurations in ìm-sized niobium triangles using the Bitter decoration technique, and we analyze the vortex states in triangles by analytically solving the London equations and performing molecular-dynamics simulations. We found that filling rules with increasing vorticity can be formulated for triangles in a similar way as for mesoscopic disks where vortices form shells. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000259020300030 |
Publication Date |
2008-06-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.957 |
Times cited |
29 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.957; 2008 IF: 2.203 |
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|
Call Number |
UA @ lucian @ c:irua:76488 |
Serial |
3863 |
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Permanent link to this record |
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Author |
Zhang, L.-F.; Covaci, L.; Peeters, F.M. |
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Title |
Position-dependent effect of non-magnetic impurities on superconducting properties of nanowires |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
|
|
Volume |
109 |
Issue |
109 |
Pages |
17010 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Anderson's theorem states that non-magnetic impurities do not change the bulk properties of conventional superconductors. However, as the dimensionality is reduced, the effect of impurities becomes more significant. Here we investigate superconducting nanowires with diameter comparable to the Fermi wavelength $\lambda_F$ (which is less than the superconducting coherence length) by using a microscopic description based on the Bogoliubov-de Gennes method. We find that: 1) impurities strongly affect the superconducting properties, 2) the effect is impurity position dependent, and 3) it exhibits opposite behavior for resonant and off-resonant wire widths. We show that this is due to the interplay between the shape resonances of the order parameter and the subband energy spectrum induced by the lateral quantum confinement. These effects can be used to manipulate the Josephson current, filter electrons by subband and investigate the symmetries of the superconducting subband gaps. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000348592100029 |
Publication Date |
2015-01-21 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0295-5075 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.957 |
Times cited |
7 |
Open Access |
|
|
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. ; |
Approved |
Most recent IF: 1.957; 2015 IF: 2.095 |
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|
Call Number |
UA @ lucian @ c:irua:128424 |
Serial |
4227 |
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Permanent link to this record |
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Author |
Meng, X.; Pant, A.; Cai, H.; Kang, J.; Sahin, H.; Chen, B.; Wu, K.; Yang, S.; Suslu, A.; Peeters, F.M.; Tongay, S.; |
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|
Title |
Engineering excitonic dynamics and environmental stability of post-transition metal chalcogenides by pyridine functionalization technique |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
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Volume |
7 |
Issue |
7 |
Pages |
17109-17115 |
|
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
http://cmt.ua.ac.be/hsahin/publishedpapers/46.pdf |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
http://cmt.ua.ac.be/hsahin/publishedpapers/46.pdf |
Publication Date |
2015-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2040-3364 |
ISBN |
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Additional Links |
UA library record; http://cmt.ua.ac.be/hsahin/publishedpapers/46.pdf; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
11 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 7.367; 2015 IF: 7.394 |
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Call Number |
UA @ lucian @ c:irua:129434 |
Serial |
4175 |
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Permanent link to this record |
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Author |
Shi, J.M.; Peeters, F.M.; Devreese, J.T.; Imanaka, Y.; Miura, N. |
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Title |
Magnetopolaron effect on the donor transition energies in ZnSe |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
52 |
Issue |
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Pages |
17205-17209 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1995TN92700040 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:11698 |
Serial |
1926 |
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Permanent link to this record |
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Author |
Ibrahim, I.S.; Peeters, F.M. |
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Title |
Two-dimensional electrons in lateral magnetic superlattices |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
52 |
Issue |
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Pages |
17321-17334 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1995TN92700054 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
169 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:12191 |
Serial |
3773 |
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Permanent link to this record |
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Author |
Bekaert, J.; Sevik, C.; Milošević, M.V. |
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Title |
First-principles exploration of superconductivity in MXenes |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
12 |
Issue |
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Pages |
17354-17361 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
MXenes are an emerging class of two-dimensional materials, which in their thinnest limit consist of a monolayer of carbon or nitrogen (X) sandwiched between two transition metal (M) layers. We have systematically searched for superconductivity among MXenes for a range of transition metal elements, based on a full first-principles characterization in combination with the Eliashberg formalism. Thus, we identified six superconducting MXenes: three carbides (Mo2C, W2C and Sc2C) and three nitrides (Mo2N, W2N and Ta2N). The highest critical temperature of similar to 16 K is found in Mo2N, for which a successful synthesis method has been established [Urbankowskiet al.,Nanoscale, 2017,9, 17722-17730]. Moreover, W2N presents a novel case of competing superconducting and charge density wave phases. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000563481700017 |
Publication Date |
2020-08-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2040-3364 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.7 |
Times cited |
15 |
Open Access |
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Notes |
; This work is supported by The Scientific and Technological Research Council of Turkey (TUBITAK) under the contract number COST-118F187, the Air Force Office of Scientific Research under award number FA9550-19-1-7048, by Research Foundation-Flanders (FWO) and the University of Antwerp (BOF). The collaboration was fostered by COST action NANOCOHYBRI (CA16218). Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. J. B. acknowledges support of a postdoctoral fellowship of the FWO. ; |
Approved |
Most recent IF: 6.7; 2020 IF: 7.367 |
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Call Number |
UA @ admin @ c:irua:171988 |
Serial |
6521 |
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Permanent link to this record |
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Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J. |
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Title |
High throughput first-principles calculations of bixbyite oxides for TCO applications |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
16 |
Issue |
33 |
Pages |
17724-17733 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present a high-throughput computing scheme based on density functional theory (DFT) to generate a class of oxides and screen them with the aim of identifying those that might be electronically appropriate for transparent conducting oxide (TCO) applications. The screening criteria used are a minimum band gap to ensure sufficient transparency, a band edge alignment consistent with easy n- or p-type dopability, and a minimum thermodynamic phase stability to be experimentally synthesizable. Following this scheme we screened 23 binary and 1518 ternary bixbyite oxides in order to identify promising candidates, which can then be a subject of an in-depth study. The results for the known TCOs are in good agreement with the reported data in the literature. We suggest a list of several new potential TCOs, including both n- and p-type compounds. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000341064800041 |
Publication Date |
2014-07-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076;1463-9084; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
23 |
Open Access |
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Notes |
; We gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project (IWT-n 080023), the FWO-Vlaanderen through project G.0150.13 and a GOA fund from the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation and the Flemish Government (EWI Department). ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
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Call Number |
UA @ lucian @ c:irua:118263 |
Serial |
1469 |
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Permanent link to this record |
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Author |
Goldoni, G.; Peeters, F.M. |
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Title |
Hole subbands and effective masses in p-doped [113]-grown heterojunctions |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
51 |
Issue |
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Pages |
17806-17813 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1995RF85700056 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
14 |
Open Access |
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Notes |
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Approved |
CHEMISTRY, PHYSICAL 48/144 Q2 # |
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Call Number |
UA @ lucian @ c:irua:12195 |
Serial |
1478 |
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Permanent link to this record |
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Author |
Dutta, S.; Zografos, O.; Gurunarayanan, S.; Radu, I.; Sorée, B.; Catthoor, F.; Naeemi, A. |
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Title |
Proposal for nanoscale cascaded plasmonic majority gates for non-Boolean computation |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
7 |
Issue |
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Pages |
17866 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('Surface-plasmon-polariton waves propagating at the interface between a metal and a dielectric, hold the key to future high-bandwidth, dense on-chip integrated logic circuits overcoming the diffraction limitation of photonics. While recent advances in plasmonic logic have witnessed the demonstration of basic and universal logic gates, these CMOS oriented digital logic gates cannot fully utilize the expressive power of this novel technology. Here, we aim at unraveling the true potential of plasmonics by exploiting an enhanced native functionality – the majority voter. Contrary to the state-of-the-art plasmonic logic devices, we use the phase of the wave instead of the intensity as the state or computational variable. We propose and demonstrate, via numerical simulations, a comprehensive scheme for building a nanoscale cascadable plasmonic majority logic gate along with a novel referencing scheme that can directly translate the information encoded in the amplitude and phase of the wave into electric field intensity at the output. Our MIM-based 3-input majority gate displays a highly improved overall area of only 0.636 mu m(2) for a single-stage compared with previous works on plasmonic logic. The proposed device demonstrates non-Boolean computational capability and can find direct utility in highly parallel real-time signal processing applications like pattern recognition.')); |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000418359600116 |
Publication Date |
2017-12-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 4.259 |
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Call Number |
UA @ lucian @ c:irua:148514 |
Serial |
4891 |
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Permanent link to this record |
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Author |
Andrikopoulos, D.; Sorée, B. |
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Title |
Skyrmion electrical detection with the use of three-dimensional Topological Insulators/Ferromagnetic bilayers |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
7 |
Issue |
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Pages |
17871 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('The effect of the magnetic skyrmion texture on the electronic transport properties of the Tl surface state coupled to a thin-film FM is numerically investigated. It is shown that both Bloch (vortex) and Neel (hedgehog) skyrmion textures induce additional scattering on top of a homogeneous background FM texture which can modify the conductance of the system. The change in conductance depends on several factors including the skyrmion size, the dimensions of the FM and the exchange interaction strength. For the Neel skyrmion, the result of the interaction strongly depends on the skyrmion number N-sk and the skyrmion helicity h. For both skyrmion types, significant change of the resistance can be achieved, which is in the order of k Omega.')); |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000418359600121 |
Publication Date |
2017-12-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
3 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 4.259 |
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Call Number |
UA @ lucian @ c:irua:148513 |
Serial |
4896 |
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Permanent link to this record |
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Author |
Craco, L.; Carara, S.S.; Barboza, E. da S.; Milošević, M.V.; Pereira, T.A.S. |
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Title |
Electronic and valleytronic properties of crystalline boron-arsenide tuned by strain and disorder |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
RSC advances |
Abbreviated Journal |
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Volume |
13 |
Issue |
26 |
Pages |
17907-17913 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Ab initio density functional theory (DFT) and DFT plus coherent potential approximation (DFT + CPA) are employed to reveal, respectively, the effect of in-plane strain and site-diagonal disorder on the electronic structure of cubic boron arsenide (BAs). It is demonstrated that tensile strain and static diagonal disorder both reduce the semiconducting one-particle band gap of BAs, and a V-shaped p-band electronic state emerges – enabling advanced valleytronics based on strained and disordered semiconducting bulk crystals. At biaxial tensile strains close to 15% the valence band lineshape relevant for optoelectronics is shown to coincide with one reported for GaAs at low energies. The role played by static disorder on the As sites is to promote p-type conductivity in the unstrained BAs bulk crystal, consistent with experimental observations. These findings illuminate the intricate and interdependent changes in crystal structure and lattice disorder on the electronic degrees of freedom of semiconductors and semimetals. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001008414700001 |
Publication Date |
2023-06-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.9 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.9; 2023 IF: 3.108 |
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Call Number |
UA @ admin @ c:irua:197317 |
Serial |
8861 |
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Permanent link to this record |