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Records |
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Author |
Chaves, A.; Farias, G.A.; Peeters, F.M.; Ferreira, R. |
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Title |
The Split-operator technique for the study of spinorial wavepacket dynamics |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Communications in computational physics |
Abbreviated Journal |
Commun Comput Phys |
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Volume |
17 |
Issue |
17 |
Pages |
850-866 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagatingwave functions describing Schrodinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene. |
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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 |
000353695400010 |
Publication Date |
2015-03-24 |
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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 |
1815-2406;1991-7120; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.004 |
Times cited |
24 |
Open Access |
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Notes |
; The authors gratefully acknowledge fruitful discussions with J. M. Pereira Jr. and R. N. Costa Filho. This work was financially supported by CNPq through the INCT-NanoBioSimes and the Science Without Borders programs (contract 402955/ 2012-9), PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 2.004; 2015 IF: 1.943 |
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Call Number |
c:irua:126028 |
Serial |
3593 |
Permanent link to this record |
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Author |
Lajevardipour, A.; Neek-Amal, M.; Peeters, F.M. |
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Title |
Thermomechanical properties of graphene : valence force field model approach |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
24 |
Issue |
17 |
Pages |
175303-175303,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the valence force field model of Perebeinos and Tersoff (2009 Phys. Rev. B 79 241409(R)), different energy modes of suspended graphene subjected to tensile or compressive strain are studied. By carrying out Monte Carlo simulations it is found that: (i) only for small strains (vertical bar epsilon vertical bar (sic) 0.02) is the total energy symmetrical in the strain, while it behaves completely differently beyond this threshold; (ii) the important energy contributions in stretching experiments are stretching, angle bending, an out-of-plane term, and a term that provides repulsion against pi-pi misalignment; (iii) in compressing experiments the two latter terms increase rapidly, and beyond the buckling transition stretching and bending energies are found to be constant; (iv) from stretching-compressing simulations we calculated the Young's modulus at room temperature 350 +/- 3.15 N m(-1), which is in good agreement with experimental results (340 +/- 50 N m(-1)) and with ab initio results (322-353) N m(-1); (v) molar heat capacity is estimated to be 24.64 J mol(-1) K-1 which is comparable with the Dulong-Petit value, i. e. 24.94 J mol(-1) K-1, and is almost independent of the strain; (vi) nonlinear scaling properties are obtained from height-height correlations at finite temperature; (vii) the used valence force field model results in a temperature independent bending modulus for graphene, and (viii) the Gruneisen parameter is estimated to be 0.64. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000303499700012 |
Publication Date |
2012-04-05 |
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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 |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
29 |
Open Access |
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Notes |
; We acknowledge helpful comments by V Perebeinos, S Costamagna, A Fasolino and J H Los. This work was supported by the Flemish science foundation (FWO-Vl) and the Belgium Science Policy (IAP). ; |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
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Call Number |
UA @ lucian @ c:irua:99123 |
Serial |
3639 |
Permanent link to this record |
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Author |
Wu, Z.; Zhai, F.; Peeters, F.M.; Xu, H.Q.; Chang, K. |
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Title |
Valley-dependent brewster angles and Goos-Hänchen effect in strained graphene |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
106 |
Issue |
17 |
Pages |
176802,1-176802,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We demonstrate theoretically how local strains in graphene can be tailored to generate a valley-polarized current. By suitable engineering of local strain profiles, we find that electrons in opposite valleys (K or K′) show different Brewster-like angles and Goos-Hänchen shifts, exhibiting a close analogy with light propagating behavior. In a strain-induced waveguide, electrons in K and K′ valleys have different group velocities, which can be used to construct a valley filter in graphene without the need for any external fields. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000290100300016 |
Publication Date |
2011-04-29 |
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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 |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
235 |
Open Access |
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Notes |
; This work was supported by the NSF of China and the MOST, the Swedish International Development Cooperation Agency (SIDA), and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 8.462; 2011 IF: 7.370 |
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Call Number |
UA @ lucian @ c:irua:89715 |
Serial |
3832 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
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Title |
Vortex configurations and critical parameters in superconducting thin films containing antidot arrays: nonlinear Ginzburg-Landau theory |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
74 |
Issue |
17 |
Pages |
Artn 174512 |
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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 |
000242409000118 |
Publication Date |
2006-11-17 |
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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 |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
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 |
97 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
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Call Number |
UA @ lucian @ c:irua:61927 |
Serial |
3862 |
Permanent link to this record |
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Author |
Çakir, D.; Peeters, F.M. |
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Title |
Fluorographane : a promising material for bipolar doping of MoS2 |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
17 |
Issue |
17 |
Pages |
27636-27641 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using first principles calculations we investigate the structural and electronic properties of interfaces between fluorographane and MoS2. Unsymmetrical functionalization of graphene with H and F results in an intrinsic dipole moment perpendicular to the plane of the buckled graphene skeleton. Depending on the orientation of this dipole moment, the electronic properties of a physically absorbed MoS2 monolayer can be switched from n-to p-type or vice versa. We show that one can realize vanishing n-type/p-type Schottky barrier heights when contacting MoS2 to fluorographane. By applying a perpendicular electric field, the size of the Schottky barrier and the degree of doping can be tuned. Our calculations indicate that a fluorographane monolayer is a promising candidate for bipolar doping of MoS2, which is vital in the design of novel technological applications based on two-dimensional materials. |
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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 |
000363193800043 |
Publication Date |
2015-09-25 |
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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 |
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 |
7 |
Open Access |
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Notes |
; 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 (TRGrid 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. ; |
Approved |
Most recent IF: 4.123; 2015 IF: 4.493 |
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Call Number |
UA @ lucian @ c:irua:129477 |
Serial |
4182 |
Permanent link to this record |
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Author |
Kang, J.; Sahin, H.; Peeters, F.M. |
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Title |
Mechanical properties of monolayer sulphides : a comparative study between MoS2, HfS2 and TiS3 |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
17 |
Issue |
17 |
Pages |
27742-27749 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The in-plane stiffness (C), Poisson's ratio (nu), Young's modulus and ultimate strength (sigma) along two different crystallographic orientations are calculated for the single layer crystals: MoS2, HfS2 and TiS3 in 1H, 1T and monoclinic phases. We find that MoS2 and HfS2 have isotropic in-plane stiffnesses of 124.24 N m(-1) and 79.86 N m(-1), respectively. While for TiS3 the in-plane stiffness is highly anisotropic due to its monoclinic structure, with C-x = 83.33 N m(-1) and C-y = 133.56 N m(-1) (x and y are parallel to its longer and shorter in-plane lattice vectors.). HfS2 which is in the 1T phase has the smallest anisotropy in its ultimate strength, whereas TiS3 in the monoclinic phase has the largest. Along the armchair direction MoS2 has the largest sigma of 23.48 GPa, whereas along y TiS3 has the largest sigma of 18.32 GPa. We have further analyzed the band gap response of these materials under uniaxial tensile strain, and find that they exhibit different behavior. Along both armchair and zigzag directions, the band gap of MoS2 (HfS2) decreases (increases) as strain increases, and the response is almost isotropic. For TiS3, the band gap decreases when strain is along x, while if strain is along y, the band gap increases first and then decreases beyond a threshold strain value. The different characteristics observed in these sulphides with different structures shed light on the relationship between the structure and properties, which is useful for applications in nanotechnology. |
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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 |
000363193800055 |
Publication Date |
2015-09-25 |
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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 |
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 |
83 |
Open Access |
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Notes |
; 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), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Super-computer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus-Long Marie Curie Fellowship, and J.K. by a FWO Pegasus-Short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 4.123; 2015 IF: 4.493 |
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Call Number |
UA @ lucian @ c:irua:129478 |
Serial |
4204 |
Permanent link to this record |
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Author |
Iyikanat, F.; Senger, R.T.; Peeters, F.M.; Sahin, H. |
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Title |
Quantum-Transport Characteristics of a p-n Junction on Single-Layer TiS3 |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
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Volume |
17 |
Issue |
17 |
Pages |
3985-3991 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
By using density functional theory and non-equilibrium Green's function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p-n junction. We constructed a lateral p-n junction on a TiS3 monolayer using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 p-n junction. In addition, the spin-dependent current-volt-age characteristics of the constructed TiS3 p-n junction were analyzed. Important device characteristics were found, such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 p-n junction. These prominent conduction properties of the TiS3 p-n junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material. |
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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 |
Weinheim |
Editor |
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Language |
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Wos |
000389534800018 |
Publication Date |
2016-09-29 |
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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 |
1439-4235 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.075 |
Times cited |
12 |
Open Access |
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Notes |
; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and the Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). FI, HS, and RTS acknowledge the support from TUBITAK Project No 114F397. H.S. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; |
Approved |
Most recent IF: 3.075 |
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Call Number |
UA @ lucian @ c:irua:140245 |
Serial |
4458 |
Permanent link to this record |
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Author |
Rios, P.L.; Perali, A.; Needs, R.J.; Neilson, D. |
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Title |
Evidence from quantum Monte Carlo simulations of large-gap superfluidity and BCS-BEC crossover in double electron-hole layers |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
120 |
Issue |
17 |
Pages |
177701 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report quantum Monte Carlo evidence of the existence of large gap superfluidity in electron-hole double layers over wide density ranges. The superfluid parameters evolve from normal state to BEC with decreasing density, with the BCS state restricted to a tiny range of densities due to the strong screening of Coulomb interactions, which causes the gap to rapidly become large near the onset of superfluidity. The superfluid properties exhibit similarities to ultracold fermions and iron-based superconductors, suggesting an underlying universal behavior of BCS-BEC crossovers in pairing systems. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000430547800002 |
Publication Date |
2018-04-23 |
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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 |
0031-9007 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
11 |
Open Access |
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Notes |
; The authors thank G. Baym, M. Bonitz, and G. Senatore for useful discussions. A. P. and D. N. acknowledge financial support from University of Camerino FAR project CESEMN and from the Italian MIUR through the PRIN 2015 program under Contract No. 2015C5SEJJ001. R. J. N. acknowledges financial support from the Engineering and Physical Sciences Research Council, U.K., under Grant No. EP/ P034616/1. P. L. R. acknowledges financial support from the Max-Planck Society. Computational resources have been provided by the High Performance Computing Service of the University of Cambridge and by the Max-Planck Institute for Solid State Research. ; |
Approved |
Most recent IF: 8.462 |
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Call Number |
UA @ lucian @ c:irua:150750UA @ admin @ c:irua:150750 |
Serial |
4967 |
Permanent link to this record |
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Author |
Mei, H.; Xu, W.; Wang, C.; Yuan, H.; Zhang, C.; Ding, L.; Zhang, J.; Deng, C.; Wang, Y.; Peeters, F.M. |
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Title |
Terahertz magneto-optical properties of bi- and tri-layer graphene |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
30 |
Issue |
17 |
Pages |
175701 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Magneto-optical (MO) properties of bi- and tri-layer graphene are investigated utilizing terahertz time-domain spectroscopy (THz TDS) in the presence of a strong magnetic field at room-temperature. In the Faraday configuration and applying optical polarization measurements, we measure the real and imaginary parts of the longitudinal and transverse MO conductivities of different graphene samples. The obtained experimental data fits very well with the classical MO Drude formula. Thus, we are able to obtain the key sample and material parameters of bi- and tri-layer graphene, such as the electron effective mass, the electronic relaxation time and the electron density. It is found that in high magnetic fields the electronic relaxation time tau for bi- and tri-layer graphene increases with magnetic field B roughly in a form tau similar to B-2. Most importantly, we obtain the electron effective mass for bi- and tri-layer graphene at room-temperature under non-resonant conditions. This work shows how the advanced THz MO techniques can be applied for the investigation into fundamental physics properties of atomically thin 2D electronic systems. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000429329500001 |
Publication Date |
2018-03-20 |
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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 |
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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 |
2.649 |
Times cited |
11 |
Open Access |
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Notes |
; This work was supported by the National Natural Science Foundation of China (11574319, 11304317, 11304272), the Ministry of Science and Technology of China (2011YQ130018), the Center of Science and Technology of Hefei Academy of Science, the Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:150715UA @ admin @ c:irua:150715 |
Serial |
4983 |
Permanent link to this record |
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Author |
Saberi-Pouya, S.; Zarenia, M.; Perali, A.; Vazifehshenas, T.; Peeters, F.M. |
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Title |
High-temperature electron-hole superfluidity with strong anisotropic gaps in double phosphorene monolayers |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
17 |
Pages |
174503 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Excitonic superfluidity in double phosphorene monolayers is investigated using the BCS mean-field equations. Highly anisotropic superfluidity is predicted where we found that the maximum superfluid gap is in the Bose-Einstein condensate (BEC) regime along the armchair direction and in the BCS-BEC crossover regime along the zigzag direction. We estimate the highest Kosterlitz-Thouless transition temperature with maximum value up to similar to 90 K with onset carrier densities as high as 4 x 10(12) cm(-2). This transition temperature is significantly larger than what is found in double electron-hole few-layers graphene. Our results can guide experimental research toward the realization of anisotropic condensate states in electron-hole phosphorene monolayers. |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000431986100002 |
Publication Date |
2018-05-02 |
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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 |
2469-9969; 2469-9950 |
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 |
17 |
Open Access |
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Notes |
; We thank David Neilson for helpful discussions. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government and Iran Ministry of Science, Research and Technology. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:151533UA @ admin @ c:irua:151533 |
Serial |
5028 |
Permanent link to this record |
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Author |
Saberi-Pouya, S.; Vazifehshenas, T.; Saleh, M.; Farmanbar, M.; Salavati-fard, T. |
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Title |
Plasmon modes in monolayer and double-layer black phosphorus under applied uniaxial strain |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
123 |
Issue |
17 |
Pages |
174301 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the effects of an applied in-plane uniaxial strain on the plasmon dispersions of monolayer, bilayer, and double-layer black phosphorus structures in the long-wavelength limit within the linear elasticity theory. In the low-energy limit, these effects can be modeled through the change in the curvature of the anisotropic energy band along the armchair and zigzag directions. We derive analytical relations of the plasmon modes under uniaxial strain and show that the direction of the applied strain is important. Moreover, we observe that along the armchair direction, the changes of the plasmon dispersion with strain are different and larger than those along the zigzag direction. Using the analytical relations of two-layer phosphorene systems, we found that the strain-dependent orientation factor of layers could be considered as a means to control the variations of the plasmon energy. Furthermore, our study shows that the plasmonic collective modes are more affected when the strain is applied equally to the layers compared to the case in which the strain is applied asymmetrically to the layers. We also calculate the effect of strain on the drag resistivity in a double-layer black phosphorus structure and obtain that the changes in the plasmonic excitations, due to an applied strain, are mainly responsible for the predicted results. This study can be readily extended to other anisotropic two-dimensional materials. Published by AIP Publishing. |
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Corporate Author |
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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 |
000431651600014 |
Publication Date |
2018-05-01 |
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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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.068 |
Times cited |
4 |
Open Access |
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.068 |
|
Call Number |
UA @ lucian @ c:irua:151522UA @ admin @ c:irua:151522 |
Serial |
5037 |
Permanent link to this record |
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|
|
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Author |
Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M. |
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Title |
Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
Volume |
10 |
Issue |
17 |
Pages |
8153-8161 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
Abstract |
The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
Language |
|
Wos |
000432261400033 |
Publication Date |
2018-03-28 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
7.367 |
Times cited |
28 |
Open Access |
|
|
Notes |
; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; |
Approved |
Most recent IF: 7.367 |
|
Call Number |
UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 |
Serial |
5040 |
Permanent link to this record |
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|
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Author |
Ghorbanfekr, H.; Behler, J.; Peeters, F.M. |
|
Title |
Insights into water permeation through hBN nanocapillaries by ab initio machine learning molecular dynamics simulations |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Journal Of Physical Chemistry Letters |
Abbreviated Journal |
J Phys Chem Lett |
|
Volume |
11 |
Issue |
17 |
Pages |
7363-7370 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Water permeation between stacked layers of hBN sheets forming 2D nanochannels is investigated using large-scale ab initio-quality molecular dynamics simulations. A high-dimensional neural network potential trained on density-functional theory calculations is employed. We simulate water in van der Waals nanocapillaries and study the impact of nanometric confinement on the structure and dynamics of water using both equilibrium and nonequilibrium methods. At an interlayer distance of 10.2 A confinement induces a first-order phase transition resulting in a well-defined AA-stacked bilayer of hexagonal ice. In contrast, for h < 9 A, the 2D water monolayer consists of a mixture of different locally ordered patterns of squares, pentagons, and hexagons. We found a significant change in the transport properties of confined water, particularly for monolayer water where the water-solid friction coefficient decreases to half and the diffusion coefficient increases by a factor of 4 as compared to bulk water. Accordingly, the slip-velocity is found to increase under confinement and we found that the overall permeation is dominated by monolayer water adjacent to the hBN membranes at extreme confinements. We conclude that monolayer water in addition to bilayer ice has a major contribution to water transport through 2D nanochannels. |
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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 |
000569375400061 |
Publication Date |
2020-08-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1948-7185 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
5.7 |
Times cited |
35 |
Open Access |
|
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program (Grant Number: G099219N). The authors thank Arham Amouei for the helpful discussion regarding MD simulations. ; |
Approved |
Most recent IF: 5.7; 2020 IF: 9.353 |
|
Call Number |
UA @ admin @ c:irua:171996 |
Serial |
6546 |
Permanent link to this record |
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Author |
Baskurt, M.; Nair, R.R.; Peeters, F.M.; Sahin, H. |
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Title |
Ultra-thin structures of manganese fluorides : conversion from manganese dichalcogenides by fluorination |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
Volume |
23 |
Issue |
17 |
Pages |
10218-10224 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
In this study, it is predicted by density functional theory calculations that graphene-like novel ultra-thin phases of manganese fluoride crystals, that have nonlayered structures in their bulk form, can be stabilized by fluorination of manganese dichalcogenide crystals. First, it is shown that substitution of fluorine atoms with chalcogens in the manganese dichalcogenide host lattice is favorable. Among possible crystal formations, three stable ultra-thin structures of manganese fluoride, 1H-MnF2, 1T-MnF2 and MnF3, are found to be stable by total energy optimization calculations. In addition, phonon calculations and Raman activity analysis reveal that predicted novel single-layers are dynamically stable crystal structures displaying distinctive characteristic peaks in their vibrational spectrum enabling experimental determination of the corresponding phases. Differing from 1H-MnF2 antiferromagnetic (AFM) large gap semiconductor, 1T-MnF2 and MnF3 single-layers are semiconductors with ferromagnetic (FM) ground state. |
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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 |
000641719700001 |
Publication Date |
2021-04-15 |
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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 |
|
Series Issue |
|
Edition |
|
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.123 |
Times cited |
1 |
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 4.123 |
|
Call Number |
UA @ admin @ c:irua:178252 |
Serial |
7043 |
Permanent link to this record |
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Author |
Menezes, R.M.; Sardella, E.; Cabral, L.R.E.; de Souza Silva, C.C. |
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Title |
Self-assembled vortex crystals induced by inhomogeneous magnetic textures |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
|
Volume |
31 |
Issue |
17 |
Pages |
175402 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
We investigate the self-assembly of vortices in a type-II superconducting disk subjected to highly nonuniform confining potentials produced by inhomogeneous magnetic textures. Using a series of numerical experiments performed within the Ginzburg–Landau theory, we show that vortices can arrange spontaneously in highly nonuniform, defect-free crystals, reminiscent of conformal lattices, even though the strict conditions for the conformal crystal are not fulfilled. These results contradict continuum-limit theory, which predicts that the order of a nonuniform crystal is unavoidably frustrated by the presence of topological defects. By testing different cooling routes of the superconductor, we observed several different self-assembled configurations, each of which corresponding to one in a set of allowed conformal transformations, which depends on the magnetic and thermal histories of the 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 |
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Editor |
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Language |
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Wos |
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Publication Date |
2019-01-30 |
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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 |
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Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:191094 |
Serial |
8511 |
Permanent link to this record |
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Author |
Moors, K.; Sorée, B.; Magnus, W. |
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Title |
Resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
|
Volume |
167 |
Issue |
167 |
Pages |
37-41 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
Abstract |
A modeling approach, based on an analytical solution of the semiclassical multi-subband Boltzmann transport equation, is presented to study resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering. While taking into account the detailed statistical properties of grains, roughness and barrier material as well as the metallic band structure and quantum mechanical aspects of scattering and confinement, the model does not rely on phenomenological fitting parameters. (C) 2016 Elsevier B.V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000390746000008 |
Publication Date |
2016-10-20 |
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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 |
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Series Issue |
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Edition |
|
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ISSN |
0167-9317 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.806 |
Times cited |
6 |
Open Access |
|
|
Notes |
; ; |
Approved |
Most recent IF: 1.806 |
|
Call Number |
UA @ lucian @ c:irua:140354 |
Serial |
4460 |
Permanent link to this record |
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Author |
Sahin, H.; Tongay, S.; Horzum, S.; Fan, W.; Zhou, J.; Li, J.; Wu, J.; Peeters, F.M. |
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Title |
Anomalous Raman spectra and thickness-dependent electronic properties of WSe2 |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
Volume |
87 |
Issue |
16 |
Pages |
165409-6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
Typical Raman spectra of transition-metal dichalcogenides (TMDs) display two prominent peaks, E-2g and A(1g), that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak in contrast to other TMDs. As the dimensionality is lowered, the observed peak splits in two. In contrast, our ab initio calculations predict that the degeneracy is retained even for WSe2 monolayers. Interestingly, for minuscule biaxial strain, the degeneracy is preserved, but once the crystal symmetry is broken by a small uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a good match to the measured Raman spectrum, which suggests that uniaxial strain exists in WSe2 flakes, possibly induced during the sample preparation and/or as a result of the interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect-to-direct band-gap transition from bulk to monolayers, which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational and electronic properties of WSe2, but also point to effects of the interaction between the monolayer TMDs and the substrate on the vibrational and electronic properties. DOI: 10.1103/PhysRevB.87.165409 |
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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 |
000317195400007 |
Publication Date |
2013-04-05 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.836 |
Times cited |
365 |
Open Access |
|
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. is supported by the FWO Pegasus Marie Curie Long Fellowship program. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
Call Number |
UA @ lucian @ c:irua:108471 |
Serial |
134 |
Permanent link to this record |
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Author |
Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. |
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Title |
Attracting shallow donors : hydrogen passivation in (Al,Ga,In)-doped ZnO |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
86 |
Issue |
16 |
Pages |
165207 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
Abstract |
The hydrogen interstitial and the substitutional AlZn, GaZn, and InZn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first-principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen. |
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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 |
000310131300008 |
Publication Date |
2012-10-22 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
|
Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
|
Call Number |
UA @ lucian @ c:irua:101780 |
Serial |
202 |
Permanent link to this record |
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Author |
Baumgartner, A.; Ihn, T.; Ensslin, K.; Papp, G.; Peeters, F.; Maranowski, K.; Gossard, A.C.; |
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Title |
Classical hall effect in scanning gate experiments |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
74 |
Issue |
16 |
Pages |
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 |
000241723700112 |
Publication Date |
2006-10-31 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.836 |
Times cited |
20 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
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Call Number |
UA @ lucian @ c:irua:61360 |
Serial |
366 |
Permanent link to this record |
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Author |
Tadić, M.; Peeters, F.M.; Janssens, K.L. |
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Title |
Effect of isotropic versus anisotropic elasticity on the electronic structure of cylindrical InP/In0.49Ga0.51P self-assembled quantum dots |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
65 |
Issue |
16 |
Pages |
165333-13 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
The electronic structure of disk-shaped InP/InGaP self-assembled quantum dots is calculated within the effective-mass theory. The strain-dependent 6x6 multiband Hamiltonian for the valence band is simplified into an axially symmetric form. Both the continuum mechanical model, discretized by finite elements, and the isotropic model are used to calculate the strain distribution and their results are critically compared. The dependence of the electron and the hole energy levels on the dimensions of the quantum dot is investigated. We found that both the electron and hole energies are underestimated if the strain distribution is calculated by the isotropic elasticity theory. The agreement between the electron energies for the two approaches is better for thinner quantum dots. The heavy holes are confined inside the quantum dot, while the light holes are located outside the disk, but confined by the strain field near the edge of the disk periphery. We found that the (h) over bar /2 hole ground state crosses the 3 (h) over bar /2 ground state when the height of the quantum dot increases and becomes the ground state for sufficiently thick quantum disks. The higher hole levels exhibit both crossings between the states of the different parity and anticrossings between the states of the same parity. |
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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 |
000175325000097 |
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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.836 |
Times cited |
72 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
|
Call Number |
UA @ lucian @ c:irua:103361 |
Serial |
819 |
Permanent link to this record |
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Author |
Shakouri, K.; Szafran, B.; Esmaeilzadeh, M.; Peeters, F.M. |
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Title |
Effective spin-orbit interaction Hamiltonian for quasi-one-dimensional quantum rings |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
Volume |
85 |
Issue |
16 |
Pages |
165314-165314,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
The effective Hamiltonian for an electron in a quasi-one-dimensional quantum ring in the presence of spin-orbit interactions is derived. We demonstrate that, when both coupling types are simultaneously present, the effective Hamiltonian derived by the lowest-radial-state approximation produces energy spectra and charge densities which deviate strongly from the exact ones. For equal Rashba and Dresselhaus coupling constants the lowest-radial-state approximation opens artifactal avoided crossings in the energy spectra and deforms the circular symmetry of the confined charge densities. In this case, there does not exist a ring thin enough to justify the restriction to the lowest radially quantized energy state. We derive the effective Hamiltonian accounting for both the lowest and the first excited radial states, and show that the inclusion of the latter restores the correct features of the exact solution. Relation of this result to the states of a quantum wire is also discussed. |
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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 |
000303068800006 |
Publication Date |
2012-04-20 |
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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 |
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Series Issue |
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Edition |
|
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.836 |
Times cited |
32 |
Open Access |
|
|
Notes |
; This work was partially supported by Polish Ministry of Science and Higher Education and its grants for Scientific Research. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
|
Call Number |
UA @ lucian @ c:irua:98258 |
Serial |
855 |
Permanent link to this record |
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Author |
Covaci, L.; Peeters, F.M.; Berciu, M. |
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Title |
Efficient numerical approach to inhomogeneous superconductivity: the Chebyshev-Bogoliubov-de Gennes method |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
Volume |
105 |
Issue |
16 |
Pages |
167006,1-167006,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Greens functions of a superconductor. Broken translational invariance of any type (impurities, surfaces, or magnetic fields) can be easily incorporated. We show that limitations due to system size can be easily circumvented and therefore this method opens the way for the study of scenarios and/or geometries that were unaccessible before. The proposed method is highly efficient and amenable to large scale parallel computation. Although we only use it in the context of superconductivity, it is applicable to other inhomogeneous mean-field theories. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000282816300018 |
Publication Date |
2010-10-12 |
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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 |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
8.462 |
Times cited |
80 |
Open Access |
|
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), CIfAR, and NSERC. Discussions with Frank Marsiglio are gratefully acknowledged. ; |
Approved |
Most recent IF: 8.462; 2010 IF: 7.622 |
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Call Number |
UA @ lucian @ c:irua:84899 |
Serial |
875 |
Permanent link to this record |
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Author |
Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. |
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Title |
Electronic and magnetic properties of superlattices of graphene/graphane nanoribbons with different edge hydrogenation |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
Volume |
82 |
Issue |
16 |
Pages |
165412-165412,9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of hydrogenation at the interfaces between the two materials. When both zigzag interfaces are fully hydrogenated, the superlattice behaves like a freestanding zigzag graphene nanoribbon, and the magnetic ground state is antiferromagnetic. When one of the interfaces is half hydrogenated, the magnetic ground state becomes ferromagnetic, and the system is very close to being a half metal with possible spintronics applications whereas the magnetic ground state of the superlattice with both interfaces half hydrogenated is again antiferromagnetic. In this last case, both edges of the graphane nanoribbon also contribute to the total magnetization of the system. All the spin-polarized ground states are semiconducting, independent of the degree of hydrogenation of the interfaces. The ab initio results are supplemented by a simple tight-binding analysis that captures the main qualitative features. Our ab initio results show that patterned hydrogenation of graphene is a promising way to obtain stable graphene nanoribbons with interesting technological applications. |
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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 |
000282569500011 |
Publication Date |
2010-10-07 |
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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 |
1098-0121;1550-235X; |
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 |
46 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (FW/08/01). A. D. H. acknowledges also support from ANPCyT (under Grant No. PICT2008-2236) ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:85030 |
Serial |
996 |
Permanent link to this record |
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Author |
Kishore, V.V.R.; Partoens, B.; Peeters, F.M. |
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Title |
Electronic structure of InAs/GaSb core-shell nanowires |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
86 |
Issue |
16 |
Pages |
165439-7 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electronic and optical properties of InAs/GaSb core-shell nanowires are investigated within the effective mass k . p approach. These systems have a broken band gap, which results in spatially separated confinement of electrons and holes. We investigated these structures for different sizes of the InAs and GaSb core and shell radius. We found that for certain configurations, the conduction band states penetrate into the valence band states resulting in a negative band gap (E-g < 0), which leads to a conduction band ground state that lies below the valence band ground state at the Gamma point. For certain core-shell wires, only one conduction band state penetrates into the valence band and in this case, a minigap Delta opens up away from the Gamma point and as a consequence the electronic properties of the nanowire now depend on both E-g and Delta values. |
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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 |
000310131400005 |
Publication Date |
2012-10-23 |
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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 |
1098-0121;1550-235X; |
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 |
26 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:102164 |
Serial |
1014 |
Permanent link to this record |
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Author |
Krstajie, P.M.; Peeters, F.M. |
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Title |
Energy-momentum dispersion relation of plasmarons in bilayer graphene |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
88 |
Issue |
16 |
Pages |
165420-165424 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The relation between the energy and momentum of plasmarons in bilayer graphene is investigated within the Overhauser approach, where the electron-plasmon interaction is described as a field theoretical problem. We find that the Dirac-like spectrum is shifted by Delta E(k) similar to 100 divided by 150 meV depending on the electron concentration n(e) and electron momentum. The shift increases with electron concentration as the energy of plasmons becomes larger. The dispersion of plasmarons is more pronounced than in the case of single layer graphene, which is explained by the fact that the energy dispersion of electrons is quadratic and not linear. We expect that these predictions can be verified using angle-resolved photoemission spectroscopy (ARPES). |
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Publisher |
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Place of Publication |
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Editor |
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Wos |
000326089400004 |
Publication Date |
2013-10-22 |
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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 |
1098-0121;1550-235X; |
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 |
3 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:112224 |
Serial |
1042 |
Permanent link to this record |
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Author |
Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. |
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Title |
Exciton states in cylindrical nanowires |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
18 |
Issue |
16 |
Pages |
3951-3966 |
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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 |
London |
Editor |
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Language |
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Wos |
000237749000013 |
Publication Date |
2006-04-04 |
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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;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.649; 2006 IF: 2.038 |
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Call Number |
UA @ lucian @ c:irua:59473 |
Serial |
1118 |
Permanent link to this record |
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Author |
de Backer, J.W.; Vanderveken, O.M.; Vos, W.G.; Devolder, A.; Verhulst, S.L.; Verbraecken, J.A.; Parizel, P.M.; Braem, M.J.; van de Heyning, P.H.; de Backer, W.A. |
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Title |
Functional imaging using computational fluid dynamics to predict treatment success of mandibular advancement devices in sleep-disordered breathing |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of biomechanics |
Abbreviated Journal |
J Biomech |
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Volume |
40 |
Issue |
16 |
Pages |
3708-3714 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW) |
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Abstract |
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Publisher |
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Place of Publication |
New York, N.Y. |
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Wos |
000251845100020 |
Publication Date |
2007-08-01 |
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Series Editor |
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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 |
0021-9290; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.664 |
Times cited |
66 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.664; 2007 IF: 2.897 |
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Call Number |
UA @ lucian @ c:irua:64860 |
Serial |
1299 |
Permanent link to this record |
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Author |
Chang, K.; Xia, J.B.; Peeters, F.M. |
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Title |
Magnetic field tuning of the effective g factor in a diluted magnetic semiconductor quantum dot |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
82 |
Issue |
16 |
Pages |
2661-2663 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The spin interaction and the effective g factor of a magnetic exciton (ME) are investigated theoretically in a diluted magnetic semiconductor (DMS) quantum dot (QD), including the Coulomb interaction and the sp-d exchange interaction. At low magnetic field, the ME energy decreases rapidly with increasing magnetic field and saturates at high magnetic field for high Mn concentration. The ground state of the ME exhibits an interesting crossing behavior between sigma(+)-ME and sigma(-)-ME for low Mn concentration. The g(ex) factor of the ME in a DMS QD displays a monotonic decrease with increasing magnetic field and can be tuned to zero by an external magnetic field. (C) 2003 American Institute of Physics. |
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Corporate Author |
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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 |
000182258800037 |
Publication Date |
2003-04-17 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
56 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2003 IF: 4.049 |
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Call Number |
UA @ lucian @ c:irua:103301 |
Serial |
1878 |
Permanent link to this record |
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Author |
van der Burgt, M.; Karavolas, V.C.; Peeters, F.M.; Singleton, J.; Nicholas, R.J.; Herlach, F.; Harris, J.J.; Van Hove, M.; Borghs, G. |
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Title |
Magnetotransport in a pseudomorphic GaAs/Ga0.8In0.2As/Ga0.75Al0.25As heterostructure with a Si \delta-doping layer |
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 |
16 |
Pages |
12218-12231 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Magnetotransport properties of a pseudomorphic GsAs/Ga0.8In0.2As/Ga0.75Al0.25As heterostructure are investigated in pulsed magnetic fields up to 50 T and at temperatures of T = 1.4 and 4.2 K. The structure studied consists of a Si delta layer parallel to a Ga0.8In0.2As quantum well (QW). The dark electron density of the structure is n(c) = 1.67 x 10(16) m(-2). By illumination the density can be increased up to a factor of 4; this way the second subband in the Ga0.08In0.2As QW can become populated as well as the Si delta layer. The presence of electrons in the delta layer results in drastic changes in the transport data, especially at magnetic fields beyond 30 T. The phenomena observed are interpreted as (i) magnetic freeze-out of carriers in the delta layer when a low density of electrons is present in the delta layer, and (ii) quantization of the electron motion in the two-dimensional electron gases in both the Ga0.8In0.2As QW and the Si delta layer in the case of high densities. These conclusions are corroborated by the numerical results of our theoretical model. We obtain satisfactory agreement between model and experiment. |
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Wos |
A1995TB96600102 |
Publication Date |
2002-07-27 |
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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 |
43 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:99708 |
Serial |
1933 |
Permanent link to this record |
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Author |
Lobato, I.; Partoens, B. |
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Title |
Multiple Dirac particles in AA-stacked graphite and multilayers of graphene |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
83 |
Issue |
16 |
Pages |
165429-165429,9 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Using the tight-binding formalism we show that in the recently experimentally realized AA-stacked graphite in essence two types of massless relativistic Dirac particles are present with a different effective speed of light. We also investigate how the electronic structure evolves from a single graphene sheet into AA-stacked graphite. It is shown that in contrast to AB-stacked graphene layers, the spectrum of AA-stacked graphene layers can be considered as a superposition of single-layer spectra and only particles with a linear spectrum at the Fermi energy around the K point are present. From the evolution of the band overlap we show that 6 multilayers of AA-stacked graphene already behave as AA-stacked graphite. The evolution of the effective speeds of light of the Dirac particles to their bulk values shows exactly the same behavior. The tight-binding parameters we use to describe AA-stacked graphite and multilayers of graphene are obtained by ab initio calculations. |
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Place of Publication |
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Wos |
000290113900005 |
Publication Date |
2011-04-21 |
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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 |
1098-0121;1550-235X; |
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 |
68 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:89717 |
Serial |
2225 |
Permanent link to this record |