| Home | << 1 2 3 4 5 6 7 8 9 10 11 12 13 14 >> |
|
| Records | |||||
|---|---|---|---|---|---|
| Author | Aierken, Y.; Leenaerts, O.; Peeters, F.M. | ||||
| Title | Defect-induced faceted blue phosphorene nanotubes | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal  |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 104104 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The properties of a new class of phosphorene nanotubes (PNT) are investigated by performing first-principles calculations. We demonstrate that it is advantageous to use blue phosphorene in order to make small nanotubes and propose a way to create low-energy PNTs by the inclusion of defect lines. Five different types of defect lines are investigated and incorporated in various combinations. The resulting defect-induced faceted PNTs have negligible bending stresses which leads to a reduction in the formation energy with respect to round PNTs. Our armchair faceted PNTs have similar formation energies than the recently proposed multiphase faceted PNTs, but they have a larger variety of possible structures. Our zigzag faceted PNTs have lower formation energies than round tubes and multiphase faceted nanotubes. The electronic properties of the defect-induced faceted PNTs are determined by the defect lines which control the band gap and the shape of the electronic states at the band edges. These band gaps increase with the radius of the nanotubes and converge to those of isolated defect lines. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000361037200006 | Publication Date | 2015-09-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 24 | Open Access | |
| Notes | This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and ser- vices used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, department EWI. | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | c:irua:127837 | Serial | 4033 | ||
| Permanent link to this record | |||||
| Author | Aierken, Y.; Çakır, D.; Sevik, C.; Peeters, F.M. | ||||
| Title | Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 081408 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Different allotropes of phosphorene are possible of which black and blue phosphorus are the most stable. While blue phosphorus has isotropic properties, black phosphorus is strongly anisotropic in its electronic and optical properties due to its anisotropic crystal structure. In this work, we systematically investigated the lattice thermal properties of black and blue phosphorene by using first-principles calculations based on the quasiharmonic approximation approach. Similar to the optoelectronic and electronic properties, we predict that black phosphorene has highly anisotropic thermal properties, in contrast to the blue phase. The linear thermal expansion coefficients along the zigzag and armchair direction differ up to 20% in black phosphorene. The armchair direction of black phosphorene is more expandable as compared to the zigzag direction and the biaxial expansion of blue phosphorene under finite temperature. Our comparative analysis reveals that the inclusion of finite-temperature effects makes the blue phase thermodynamically more stable over the black phase above 135 K. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000359860700005 | Publication Date | 2015-08-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 124 | Open Access | |
| Notes | This work was supported by the Flemish Science Founda- tion (FWO-Vl) and the Methusalem foundation of the Flem- ish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Comput- ing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges the support from Anadolu University (BAP-1407F335), and Turkish Academy of Sciences (TUBA-GEBIP). | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | c:irua:127754 | Serial | 4034 | ||
| Permanent link to this record | |||||
| Author | Dell'Anna, L.; Perali, A.; Covaci, L.; Neilson, D. | ||||
| Title | Using magnetic stripes to stabilize superfluidity in electron-hole double monolayer graphene | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 220502 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Experiments have confirmed that double monolayer graphene does not generate finite-temperature electron-hole superfluidity, because of very strong screening of the pairing attraction. The linear dispersing energy bands in monolayer graphene block any attempt to reduce the strength of the screening. We propose a hybrid device with two sheets of monolayer graphene in a modulated periodic perpendicular magnetic field. The field preserves the isotropic Dirac cones of the original monolayers but reduces the slope of the cones, making the monolayer Fermi velocity v(F) smaller. We demonstrate that with current experimental techniques, the reduction in vF can weaken the screening sufficiently to allow electron-hole superfluidity at measurable temperatures. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000366500100004 | Publication Date | 2015-12-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 7 | Open Access | |
| Notes | ; We thank M. Zarenia for useful discussions. L.D. acknowledges financial support from MIUR: FIRB 2012, Grant No. RBFR12NLNA_002, and PRIN, Grant No. 2010LLKJBX. A.P. and D.N. acknowledge financial support from University of Camerino FAR project CESEMN. L.C. acknowledges financial support from Flemish Science Foundation (FWO). ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | c:irua:130211 | Serial | 4069 | ||
| Permanent link to this record | |||||
| Author | Juchtmans, R.; Verbeeck, J. | ||||
| Title | Orbital angular momentum in electron diffraction and its use to determine chiral crystal symmetries | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review: B: condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 134108 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In this work we present an alternative way to look at electron diffraction in a transmission electron microscope. Instead of writing the scattering amplitude in Fourier space as a set of plane waves,we use the cylindrical Fourier transform to describe the scattering amplitude in a basis of orbital angular momentum (OAM) eigenstates. We show how working in this framework can be very convenient when investigating, e.g., rotation and screw-axis symmetries. For the latter we find selection rules on the OAM coefficients that unambiguously reveal the handedness of the screw axis. Detecting the OAM coefficients of the scattering amplitude thus offers the possibility to detect the handedness of crystals without the need for dynamical simulations, the thickness of the sample, nor the exact crystal structure. We propose an experimental setup to measure the OAM components where an image of the crystal is taken after inserting a spiral phase plate in the diffraction plane and perform multislice simulations on α quartz to demonstrate how the method indeed reveals the chirality. The experimental feasibility of the technique is discussed together with its main advantages with respect to chirality determination of screw axes. The method shows how the use of a spiral phase plate can be extended from a simple phase imaging technique to a tool to measure the local OAM decomposition of an electron wave, widening the field of interest well beyond chiral space group determination. |
||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000362893100002 | Publication Date | 2015-10-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 16 | Open Access | |
| Notes | The authors acknowledge support from the FWO (As- pirant Fonds Wetenschappelijk Onderzoek–Vlaanderen), the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2, and ERC Starting Grant No. 278510 VORTEX; esteem2jra1; ECASJO; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | c:irua:129417 c:irua:129417UA @ admin @ c:irua:129417 | Serial | 4089 | ||
| Permanent link to this record | |||||
| Author | Sobrino Fernandez, M.M.; Neek-Amal, M.; Peeters, F.M. | ||||
| Title | AA-stacked bilayer square ice between graphene layers | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 245428 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Water confined between two graphene layers with a separation of a few A forms a layered two-dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between the graphene layers which is nonpolar and nonferroelectric. We provide different energetic considerations and H-bonding results that explain the interlayer and intralayer properties of two-dimensional ice. The controversial AA stacking found experimentally [Algara-Siller et al., Nature (London) 519, 443 (2015)] is consistent with our minimum-energy crystal structure of bilayer ice. Furthermore, we predict that an odd number of layers of ice has the same lattice structure as monolayer ice, while an even number of ice layers exhibits the square ice AA stacking of bilayer ice. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000366731800004 | Publication Date | 2015-12-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 40 | Open Access | |
| Notes | ; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | c:irua:130203 | Serial | 4127 | ||
| Permanent link to this record | |||||
| Author | Chaves, A.; Low, T.; Avouris, P.; Çakir, D.; Peeters, F.M. | ||||
| Title | Anisotropic exciton Stark shift in black phosphorus | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 91 | Issue | 91 | Pages | 155311 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We calculate the excitonic spectrum of few-layer black phosphorus by direct diagonalization of the effective mass Hamiltonian in the presence of an applied in-plane electric field. The strong attractive interaction between electrons and holes in this system allows one to investigate the Stark effect up to very high ionizing fields, including also the excited states. Our results show that the band anisotropy in black phosphorus becomes evident in the direction-dependent field-induced polarizability of the exciton. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000353459200005 | Publication Date | 2015-04-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 88 | Open Access | |
| Notes | ; Discussions with J. M. Pereira Jr. and J. S. de Souza are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq) through the PQ and Science Without Borders programs, the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, and the Bilateral program (CNPq-FWO) between Flanders and Brazil. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:132506 | Serial | 4141 | ||
| Permanent link to this record | |||||
| Author | Galvan-Moya; Misko, V.R.; Peeters, F.M. | ||||
| Title | Chainlike transitions in Wigner crystals : sequential versus nonsequential | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 064112 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The structural transitions of the ground state of a system of repulsively interacting particles confined in a quasi-one-dimensional channel, and the effect of the interparticle interaction as well as the functional form of the confinement potential on those transitions are investigated. Although the nonsequential ordering of transitions (non-SOT), i.e., the 1 – 2 – 4 – 3 – 4 – 5 – 6 – ... sequence of chain configurations with increasing density, is widely robust as predicted in a number of theoretical studies, the sequential ordering of transitions (SOT), i.e., the 1 – 2 – 3 – 4 – 5 – 6 – ... chain, is found as the ground state for long-ranged interparticle interaction and hard-wall-like confinement potentials. We found an energy barrier between every two different phases around its transition point, which plays an important role in the preference of the system to follow either a SOT or a non-SOT. However, that preferential transition requires also the stability of the phases during the transition. Additionally, we analyze the effect of a small structural disorder on the transition between the two phases around its transition point. Our results show that a small deformation of the triangular structure changes dramatically the picture of the transition between two phases, removing in a considerable region the non-SOT in the system. This feature could explain the fact that the non-SOT is, up to now, not observed in experimental systems, and suggests a more advanced experimental setup to detect the non-SOT. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000359859400003 | Publication Date | 2015-08-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 3 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC). ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:127753 | Serial | 4148 | ||
| Permanent link to this record | |||||
| Author | Sadeghi, A.; Neek-Amal, M.; Berdiyorov, G.R.; Peeters, F.M. | ||||
| Title | Diffusion of fluorine on and between graphene layers | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 91 | Issue | 91 | Pages | 014304 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using first-principles calculations and reactive force field molecular dynamics simulations, we study the structural properties and dynamics of a fluorine (F) atom, either adsorbed on the surface of single layer graphene (F/GE) or between the layers of AB stacked bilayer graphene (F@ bilayer graphene). It is found that the diffusion of the F atom is very different in those cases, and that the mobility of the F atom increases by about an order of magnitude when inserted between two graphene layers. The obtained diffusion constant for F/GE is twice larger than that experimentally found for gold adatom and theoretically found for C-60 molecule on graphene. Our study provides important physical insights into the dynamics of fluorine atoms between and on graphene layers and explains the mechanism behind the separation of graphite layers due to intercalation of F atoms. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000349125800002 | Publication Date | 2015-01-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 15 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish Government. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:132561 | Serial | 4161 | ||
| Permanent link to this record | |||||
| Author | Pavlović, S.; Peeters, F.M. | ||||
| Title | Electronic properties of triangular and hexagonal MoS2 quantum dots | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 91 | Issue | 91 | Pages | 155410 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using the tight-binding approach, we calculate the electronic structure of triangular and hexagonal MoS2 quantum dots. Due to the orbital asymmetry we show that it is possible to form quantum dots with the same shape but having different electronic properties. The electronic states of triangular and hexagonal quantum dots are explored, as well as the local and total density of states and the convergence towards the bulk spectrum with dot size is investigated. Our calculations show that: (1) edge states appear in the band gap, (2) that there are a larger number of electronic states in the conduction band as compared to the valence band, and (3) the relative number of edge states decreases with increasing dot size. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000352591200005 | Publication Date | 2015-04-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 44 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish government. Stefan Pavlovic is supported by JoinEU-SEE IV, Erasmus Mundus Action 2 programme. We thank J. M. Pereira for interesting discussions. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:132516 | Serial | 4170 | ||
| Permanent link to this record | |||||
| Author | da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M. | ||||
| Title | Energy levels of bilayer graphene quantum dots | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 115437 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Within a tight binding approach we investigate the energy levels of hexagonal and triangular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We study AA- and AB-(Bernal) stacked BLG QDs and obtain the energy levels in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). Our results show that the size dependence of the energy levels is different from that of monolayer graphene QDs. The energy spectrum of AB-stacked BLG QDs with zigzag edges exhibits edge states which spread out into the opened energy gap in the presence of a perpendicular electric field. We found that the behavior of these edges states is different for the hexagonal and triangular geometries. In the case of AA-stacked BLG QDs, the electron and hole energy levels cross each other in both cases of armchair and zigzag edges as the dot size or the applied bias increases. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000361663700003 | Publication Date | 2015-09-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 21 | Open Access | |
| Notes | ; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:128726 | Serial | 4173 | ||
| Permanent link to this record | |||||
| Author | Peymanirad, F.; Neek Amal, M.; Beheshtian, J.; Peeters, F.M. | ||||
| Title | Graphene-silicene bilayer : a nanocapacitor with permanent dipole and piezoelectricity effect | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 155113 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using density functional theory, we study the electronic properties of a graphene-silicene bilayer (GSB). A single layer of silicene binds to the graphene layer with adhesion energy of about 25 meV/atom. This adhesion energy between the two layers follows accurately the well-known -1/z(2) dispersion energy as found between two infinite parallel plates. In small flakes of GSB with hydrogenated edges, negative charge is transferred from the graphene layer to the silicene layer, producing a permanent and a switchable polar bilayer, while in an infinite GSB, the negative charge is transferred from the silicene layer to the graphene layer. The graphene-silicene bilayer is a good candidate for a nanocapacitor with piezoelectric capabilities. We found that the permanent dipole of the bilayer can be tuned by an external perpendicular electric field. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000362493400002 | Publication Date | 2015-10-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 17 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | |||
| Call Number | UA @ lucian @ c:irua:128762 | Serial | 4188 | ||
| Permanent link to this record | |||||
| Author | Kang, J.; Horzum, S.; Peeters, F.M. | ||||
| Title | Heterostructures of graphene and nitrogenated holey graphene: Moire pattern and Dirac ring | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 195419 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Nitrogenated holey graphene (NHG) is a recently synthesized two-dimensional material. In this paper the structural and electronic properties of heterostructures of graphene and NHG are investigated using first-principles and tight-binding calculations. Due to the lattice mismatch between NHG and graphene, the formation of a moire pattern is preferred in the graphene/NHG heterostructure, instead of a lattice-coherent structure. In moire-patterned graphene/NHG, the band gap opening at the K point is negligible, and the linear band dispersion of graphene survives. Applying an electric field modifies the coupling strength between the two atomic layers. The Fermi velocity upsilon(F) is reduced as compared to the one of pristine graphene, and its magnitude depends on the twist angle theta between graphene and NHG: For theta = 0 degrees, upsilon(F) is 30% of that of graphene, and it increases rapidly to a value of 80% with increasing theta. The heterostructure exhibits electron-hole asymmetry in upsilon(F), which is large for small theta. In NHG encapsulated between two graphene layers, a “Dirac ring” appears around the K point. Its presence is robust with respect to the relative stacking of the two graphene layers. These findings can be useful for future applications of graphene/NHG heterostructures. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000364998000006 | Publication Date | 2015-11-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 33 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | |||
| Call Number | UA @ lucian @ c:irua:130266 | Serial | 4189 | ||
| Permanent link to this record | |||||
| Author | Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P. | ||||
| Title | Majorana zero-energy modes and spin current evolution in mesoscopic superconducting loop systems with spin-orbit interaction | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 094516 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The Majorana zero modes and persistent spin current in mesoscopic d-wave-superconducting loops with spin-orbit (SO) interaction are investigated by numerically solving the spin-generalized Bogoliubov-de Gennes equations self-consistently. For some appropriate strength of the SO coupling, Majorana zero-energy states and sharp jumps of the spin-polarized currents can be observed when the highest energy levels cross the Fermi energy in the spectrum, leading to spin currents with opposite chirality flowing near the inner and outer edges of the sample. When the threaded magnetic flux turns on, four flux-dependent patterns of the persistent spin current with step-like features show up, accompanied by Majorana edge modes at flux values where the energy gap closes. Moreover, the Majorana zero mode is highly influenced by the direction of the Zeeman field. A finite in-plane field can lead to the gap opening since the inversion symmetry is broken. Remarkably, multiple Majorana zero-energy states occur in the presence of an out-of-plane field h(z), and the number of steps in the spin current evolution can be effectively tuned by the field strength due to the shift of Majorana zero modes. Finally, when the loop sample contains surface indentation defects, zero-energy modes can always show up in the presence of an appropriate h(z). Interestingly, multiple Majorana states may be present in the system with a corner defect even if h(z) = 0. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000362081000002 | Publication Date | 2015-09-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 11 | Open Access | |
| Notes | ; This work was supported by National Natural Science Foundation of China under Grants No. 61371020, No. 61271163, and No. 61571277, by the Visiting Scholar Program of Shanghai Municipal Education Commission, and by the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:132467 | Serial | 4203 | ||
| Permanent link to this record | |||||
| Author | Neek-Amal, M; Peeters, F.M. | ||||
| Title | Partially hydrogenated and fluorinated graphene : structure, roughness, and negative thermal expansion | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 155430 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The structural properties of partially hydrogenated and fluorinated graphene with different percentages of H/F atoms are investigated using molecular dynamics simulations based on reactive force field (ReaxFF) potentials. We found that the roughness of graphene varies with the percentage (p) of H or F and in both cases is maximal around p = 50%. Similar results were obtained for partially oxidized graphene. The two-dimensional area size of partially fluorinated and hydrogenated graphene exhibits a local minimum around p = 35% coverage. The lattice thermal contraction in partially functionalized graphene is found to be one order of magnitude larger than that of fully covered graphene. We also show that the armchair structure for graphene oxide (similar to the structure of fully hydrogenated and fluorinated graphene) is unstable. Our results show that the structure of partially functionalized graphene changes nontrivially with the C : H and C : F ratio as well as with temperature. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000363294100005 | Publication Date | 2015-10-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 5 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:129448 | Serial | 4221 | ||
| Permanent link to this record | |||||
| Author | Brito, B.G.A.; Candido, L.; Hai, G.-Q.; Peeters, F.M. | ||||
| Title | Quantum effects in a free-standing graphene lattice : path-integral against classical Monte Carlo simulations | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 195416 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3k(B)T. The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T < 1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T < 400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T similar or equal to 500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000368095400004 | Publication Date | 2015-11-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 22 | Open Access | |
| Notes | ; This research was supported by the Brazilian agencies FAPESP, FAPEG, and CNPq, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:131144 | Serial | 4232 | ||
| Permanent link to this record | |||||
| Author | Çakir, D.; Sevik, C.; Peeters, F.M. | ||||
| Title | Significant effect of stacking on the electronic and optical properties of few-layer black phosphorus | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 165406 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first-principles calculations within the framework of density functional theory. We find that inclusion of many-body effects (i.e., electron-electron and electron-hole interactions) modifies strongly both the electronic and optical properties of black phosphorus. While trilayer black phosphorus with a particular stacking type is found to be a metal by using semilocal functionals, it is predicted to have an electronic band gap of 0.82 eV when many-body effects are taken into account within the G(0)W(0) scheme. Though different stacking types result in similar energetics, the size of the band gap and the optical response of bilayer and trilayer phosphorene are very sensitive to the number of layers and the stacking type. Regardless of the number of layers and the type of stacking, bilayer and trilayer black phosphorus are direct band gap semiconductors whose band gaps vary within a range of 0.3 eV. Stacking arrangements that are different from the ground state structure in both bilayer and trilayer black phosphorus exhibit significant modified valence bands along the zigzag direction and result in larger hole effective masses. The optical gap of bilayer (trilayer) black phosphorus varies by 0.4 (0.6) eV when changing the stacking type. The calculated binding energy of the bound exciton hardly changes with the type of stacking and is found to be 0.44 (0.30) eV for bilayer (trilayer) phosphorous. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000362435300005 | Publication Date | 2015-10-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 127 | Open Access | |
| 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 Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges support from Turkish Academy of Sciences (TUBA-GEBIP). ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:128320 | Serial | 4242 | ||
| Permanent link to this record | |||||
| Author | Missault, N.; Vasilopoulos, P.; Vargiamidis, V.; Peeters, F.M.; Van Duppen, B. | ||||
| Title | Spin- and valley-dependent transport through arrays of ferromagnetic silicene junctions | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 195423 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We study ballistic transport of Dirac fermions in silicene through arrays of barriers, of width d, in the presence of an exchange field M and a tunable potential of height U or depth-U. The spin-and valley-resolved conductances as functions of U or M, exhibit resonances away from the Dirac point (DP) and close to it a pronounced dip that becomes a gap when a critical electric field E-z is applied. This gap widens by increasing the number of barriers and can be used to realize electric field-controlled switching of the current. The spin p(s) and valley p(v) polarizations of the current near the DP increase with Ez or M and can reach 100% for certain of their values. These field ranges widen significantly by increasing the number of barriers. Also, ps and pv oscillate nearly periodically with the separation between barriers or wells and can be inverted by reversing M. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000364998100006 | Publication Date | 2015-11-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 54 | Open Access | |
| Notes | ; This work was supported by the Canadian NSERC Grant No. OGP0121756 (P.V.) and by the Flemish Science Foundation (FWO-Vl) with a Ph.D. research grant (B.V.D.). ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:130264 | Serial | 4247 | ||
| Permanent link to this record | |||||
| Author | Sahin, H. | ||||
| Title | Structural and phononic characteristics of nitrogenated holey graphene | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 085421 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Recent experimental studies showed that formation of a two-dimensional crystal structure of nitrogenated holey graphene (NHG) is possible. Similar to graphene, NHGs have an atomically thin and strong crystal structure. Using first-principles calculations, we investigate the structural, phononic, and thermal properties of monolayer NHG crystal. Our charge analysis reveals that the charged holey sites of NHG provide a reactive ground for further functionalization by adatoms or molecules. We also found that similar to graphene, the NHG structure has quite high-frequency phonon modes and the presence of nitrogen atoms leads to the emergence of additional vibrational modes. Our phonon analysis reveals the presence of three characteristic Raman-active modes of NHG. Furthermore, the analysis of constant-volume heat capacity showed that the NHG structure has a linear temperature dependence in the low-temperature region. The strong lattice structure and unique thermal properties of the NHG crystal structure are desirable in nanoscale device applications. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000359860700007 | Publication Date | 2015-08-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 49 | Open Access | |
| Notes | ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:127755 | Serial | 4252 | ||
| Permanent link to this record | |||||
| Author | Kang, J.; Sahin, H.; Ozaydin, H.D.; Senger, R.T.; Peeters, F.M. | ||||
| Title | TiS3 nanoribbons : width-independent band gap and strain-tunable electronic properties | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 075413 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The electronic properties, carrier mobility, and strain response of TiS3 nanoribbons (TiS3 NRs) are investigated by first-principles calculations. We found that the electronic properties of TiS3 NRs strongly depend on the edge type (a or b). All a-TiS3 NRs are metallic with a magnetic ground state, while b-TiS3 NRs are direct band gap semiconductors. Interestingly, the size of the band gap and the band edge position are almost independent of the ribbon width. This feature promises a constant band gap in a b-TiS3 NR with rough edges, where the ribbon width differs in different regions. The maximum carrier mobility of b-TiS3 NRs is calculated by using the deformation potential theory combined with the effective mass approximation and is found to be of the order 10(3) cm(2) V-1 s(-1). The hole mobility of the b-TiS3 NRs is one order of magnitude lower, but it is enhanced compared to the monolayer case due to the reduction in hole effective mass. The band gap and the band edge position of b-TiS3 NRs are quite sensitive to applied strain. In addition we investigate the termination of ribbon edges by hydrogen atoms. Upon edge passivation, the metallic and magnetic features of a-TiS3 NRs remain unchanged, while the band gap of b-TiS3 NRs is increased significantly. The robust metallic and ferromagnetic nature of a-TiS3 NRs is an essential feature for spintronic device applications. The direct, width-independent, and strain-tunable band gap, as well as the high carrier mobility, of b-TiS3 NRs is of potential importance in many fields of nanoelectronics, such as field-effect devices, optoelectronic applications, and strain sensors. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000359344100014 | Publication Date | 2015-08-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 55 | Open Access | |
| 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, the High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. H.S. is supported by a FWO Pegasus-Long Marie Curie Fellowship, and J.K. is supported by a FWO Pegasus-Short Marie Curie Fellowship. H.S. and R.T.S. acknowledge support from TUBITAK through Project No. 114F397. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:127760 | Serial | 4259 | ||
| Permanent link to this record | |||||
| Author | Michel, K.H.; Costamagna; Peeters, F.M. | ||||
| Title | Theory of anharmonic phonons in two-dimensional crystals | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 91 | Issue | 91 | Pages | 134302 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semiempirical model for anharmonic couplings of third and fourth orders, we study the in-plane and out-of-plane (flexural) mode components of the generalized wave vector dependent Gruneisen parameters, the thermal tension and the thermal expansion coefficients as a function of temperature and crystal size. From the resonances of the displacement-displacement correlation functions, we obtain the renormalization and decay rate of in-plane and flexural phonons as a function of temperature, wave vector, and crystal size in the classical and in the quantum regime. Quantitative results are presented for graphene. There, we find that the transition temperature T-alpha from negative to positive thermal expansion is lowered with smaller system size. Renormalization of the flexural mode has the opposite effect and leads to values of T-alpha approximate to 300 K for systems of macroscopic size. Extensive numerical analysis throughout the Brillouin zone explores various decay and scattering channels. The relative importance of normal and umklapp processes is investigated. The work is complementary to crystalline membrane theory and computational studies of anharmonic effects in two-dimensional crystals. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000353031000001 | Publication Date | 2015-04-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 38 | Open Access | |
| Notes | ; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the EuroGRAPHENE project CONGRAN. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:132512 | Serial | 4263 | ||
| Permanent link to this record | |||||
| Author | Torun, E.; Sahin, H.; Bacaksiz, C.; Senger, R.T.; Peeters, F.M. | ||||
| Title | Tuning the magnetic anisotropy in single-layer crystal structures | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal |
Phys Rev B |
| Volume | 92 | Issue | 92 | Pages | 104407 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The effect of an applied electric field and the effect of charging are investigated on themagnetic anisotropy (MA) of various stable two-dimensional (2D) crystals such as graphene, FeCl2, graphone, fluorographene, and MoTe2 using first-principles calculations. We found that themagnetocrystalline anisotropy energy of Co-on-graphene and Os-doped-MoTe2 systems change linearly with electric field, opening the possibility of electric field tuningMAof these compounds. In addition, charging can rotate the easy-axis direction ofCo-on-graphene andOs-doped-MoTe2 systems from the out-of-plane (in-plane) to in-plane (out-of-plane) direction. The tunable MA of the studied materials is crucial for nanoscale electronic technologies such as data storage and spintronics devices. Our results show that controlling the MA of the mentioned 2D crystal structures can be realized in various ways, and this can lead to the emergence of a wide range of potential applications where the tuning and switching of magnetic functionalities are important. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000360961400004 | Publication Date | 2015-09-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 37 | Open Access | |
| 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 Supercomputer Center (VSC), which is funded by the Hercules Foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. C.B. and R.T.S. acknowledge support from TUBITAK Project No. 111T318. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:127838 | Serial | 4269 | ||
| Permanent link to this record | |||||
| Author | Sobrino Fernandez, M.; Misko, V.R.; Peeters, F.M. | ||||
| Title | Self-assembly of Janus particles into helices with tunable pitch | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : E : statistical, nonlinear, and soft matter physics | Abbreviated Journal |
Phys Rev E |
| Volume | 92 | Issue | 92 | Pages | 042309 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. In this work we consider a three-dimensional model of Janus spheres that contain one hydrophobic and one charged hemisphere. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment. The interplay between the attractive and repulsive forces on each particle gives rise to a rich phase space where the relative orientation of each particle plays a dominant role in the formation of large-scale clusters. The interest in this system is primarily due to the fact that it could give a better understanding of the mechanisms of the formation of polar membranes. A variety of ordered membranelike morphologies is found consisting of single and multiple connected chain configurations. The helicity of these chains can be chosen by simply changing the salt concentration of the solution. Special attention is given to the formation of Bernal spirals. These helices are composed of regular tetrahedra and are known to exhibit nontrivial translational and rotational symmetry. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Physical Society | Place of Publication | Melville, N.Y. | Editor | |
| Language | Wos | 000362903700004 | Publication Date | 2015-10-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1539-3755; 1550-2376 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.366 | Times cited | 18 | Open Access | |
| Notes | ; This work was supported by the Fund for Scientific Research Flanders (FWO) and by the “Odysseus” program of the Flemish government and FWO. ; | Approved | Most recent IF: 2.366; 2015 IF: 2.288 | ||
| Call Number | UA @ lucian @ c:irua:129416 | Serial | 4241 | ||
| Permanent link to this record | |||||
| Author | Garcia, J.H.; Covaci, L.; Rappoport, T.G. | ||||
| Title | Real-space calculation of the conductivity tensor for disordered topological matter | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review letters | Abbreviated Journal |
Phys Rev Lett |
| Volume | 114 | Issue | 114 | Pages | 116602 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We describe an efficient numerical approach to calculate the longitudinal and transverse Kubo conductivities of large systems using Bastin's formulation. We expand the Green's functions in terms of Chebyshev polynomials and compute the conductivity tensor for any temperature and chemical potential in a single step. To illustrate the power and generality of the approach, we calculate the conductivity tensor for the quantum Hall effect in disordered graphene and analyze the effect of the disorder in a Chern insulator in Haldane's model on a honeycomb lattice. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | New York, N.Y. | Editor | ||
| Language | Wos | 000351430600010 | Publication Date | 2015-03-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007;1079-7114; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.462 | Times cited | 69 | Open Access | |
| Notes | ; We acknowledge A. R. Hernandez, A. Ferreira, and E. Mucciolo for discussions. T. G. R and J. H. G acknowledge the Brazilian agencies CNPq, FAPERJ, and INCT de Nanoestruturas de Carbono for financial support. L. C. acknowledges the Flemish Science Foundation (FWO-Vlaanderen) for financial support. ; | Approved | Most recent IF: 8.462; 2015 IF: 7.512 | ||
| Call Number | c:irua:125467 | Serial | 2827 | ||
| Permanent link to this record | |||||
| Author | Lubk, A.; Béché, A.; Verbeeck, J. | ||||
| Title | Electron Microscopy of Probability Currents at Atomic Resolution | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review letters | Abbreviated Journal |
Phys Rev Lett |
| Volume | 115 | Issue | 115 | Pages | 176101 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Atomic resolution transmission electron microscopy records the spatially resolved scattered electron density to infer positions, density, and species of atoms. These data are indispensable for studying the relation between structure and properties in solids. Here, we show how this signal can be augmented by the lateral probability current of the scattered electrons in the object plane at similar resolutions and fields of view. The currents are reconstructed from a series of three atomic resolution TEM images recorded under a slight difference of perpendicular line foci. The technique does not rely on the coherence of the electron beam and can be used to reveal electric, magnetic, and strain fields with incoherent electron beams as well as correlations in inelastic transitions, such as electron magnetic chiral dichroism. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000363023700011 | Publication Date | 2015-10-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007;1079-7114; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.462 | Times cited | 12 | Open Access | |
| Notes | J. V. and A. B. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX. The Qu-Ant- EM microscope was partly funded by the Hercules fund from the Flemish Government. All authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative. Reference No. 312483- ESTEEM2. J. V. acknowledges funding from the FWO under Project No. G.0044.13N.; esteem2jra2; esteem2jra3 ECASJO_; | Approved | Most recent IF: 8.462; 2015 IF: 7.512 | ||
| Call Number | c:irua:129190 c:irua:129190UA @ admin @ c:irua:129190 | Serial | 3954 | ||
| Permanent link to this record | |||||
| Author | Martens, K.; Jeong, J.W.; Aetukuri, N.; Rettner, C.; Shukla, N.; Freeman, E.; Esfahani, D.N.; Peeters, F.M.; Topuria, T.; Rice, P.M.; Volodin, A.; Douhard, B.; Vandervorst, W.; Samant, M.G.; Datta, S.; Parkin, S.S.P. | ||||
| Title | Field Effect and Strongly Localized Carriers in the Metal-Insulator Transition Material VO(2) | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review letters | Abbreviated Journal |
Phys Rev Lett |
| Volume | 115 | Issue | 115 | Pages | 196401 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The intrinsic field effect, the change in surface conductance with an applied transverse electric field, of prototypal strongly correlated VO(2) has remained elusive. Here we report its measurement enabled by epitaxial VO(2) and atomic layer deposited high-kappa dielectrics. Oxygen migration, joule heating, and the linked field-induced phase transition are precluded. The field effect can be understood in terms of field-induced carriers with densities up to approximately 5x10(13) cm(-2) which are trongly localized, as shown by their low, thermally activated mobility ( approximately 1x10(-3) cm(2)/V s at 300 K). These carriers show behavior consistent with that of Holstein polarons and strongly impact the (opto)electronics of VO(2). | ||||
| Address | IBM Research-Almaden, San Jose, California 95120, USA | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000364024800013 | Publication Date | 2015-11-05 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.462 | Times cited | 28 | Open Access | |
| Notes | ; The authors acknowledge B. Hughes, K. Roche, L. Gao, C. Lada, J. Van Houdt, M. Heyns, J. P. Locquet, J. Delmotte, L. Krupp, L. Clark, and FWO (K. M.). S. D. and N. S. acknowledge LEAST (Low Energy Systems Technology), one of six SRC STARnet Centers, sponsored by MARCO/DARPA, for financial support. ; | Approved | Most recent IF: 8.462; 2015 IF: 7.512 | ||
| Call Number | c:irua:129547 | Serial | 4051 | ||
| Permanent link to this record | |||||
| Author | Van Gompel, M.; Atalay, A.Y.; Gaulke, A.; Van Bael, M.K.; D'Haen, J.; Turner, S.; Van Tendeloo, G.; Vanacken, J.; Moshchalkov, V.V.; Wagner, P. | ||||
| Title | Morphological TEM studies and magnetoresistance analysis of sputtered Al-substituted ZnO films : the role of oxygen | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physica status solidi : A : applications and materials science | Abbreviated Journal |
Phys Status Solidi A |
| Volume | 212 | Issue | 212 | Pages | 1191-1201 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In this article, we report on the synthesis of thin, epitaxial films of the transparent conductive oxide Al:ZnO on (0001)-oriented synthetic sapphire substrates by DC sputtering from targets with a nominal 1 at.% Al substitution. The deposition was carried out at an unusually low substrate temperature of only 250 °C in argonoxygen mixtures as well as in pure argon. The impact of the processgas composition on the morphology was analysed by transmission electron microscopy, revealing epitaxial growth in all the cases with a minor impact of the process parameters on the resulting grain sizes. The transport properties resistivity, Hall effect and magnetoresistance were studied in the range from 10 to 300 K in DC and pulsed magnetic fields up to 45 T. While the carrier density and mobility are widely temperature independent, we identified a low fieldlow temperature regime in which the magnetoresistance shows an anomalous, negative behaviour. At higher fields and temperatures, the magnetoresistance exhibits a more conventional, positive curvature with increasing field strength. As a possible explanation, we propose carrier scattering at localised magnetic trace impurities and magnetic correlations. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000356706500003 | Publication Date | 2015-04-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1862-6300; | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.775 | Times cited | Open Access | ||
| Notes | Methusalem project NANO; FWO; 246791 COUNTATOMS | Approved | Most recent IF: 1.775; 2015 IF: 1.616 | ||
| Call Number | c:irua:126732 | Serial | 2204 | ||
| Permanent link to this record | |||||
| Author | Michel, K.H.; Costamagna; Peeters, F.M. | ||||
| Title | Theory of thermal expansion in 2D crystals | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physica status solidi: B: basic research | Abbreviated Journal |
Phys Status Solidi B |
| Volume | 252 | Issue | 252 | Pages | 2433-2437 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The thermal expansion alpha(T) in layered crystals is of fundamental and technological interest. As suggested by I. M. Lifshitz in 1952, in thin solid films (crystalline membranes) a negative contribution to alpha(T) is due to anharmonic couplings between in-plane stretching modes and out-of-plane bending (flexural modes). Genuine in-plane anharmonicities give a positive contribution to alpha(T). The competition between these two effects can lead to a change of sign (crossover) from a negative value of alpha(T) in a temperature (T) range T <= T-alpha to a positive value of alpha(T) for T > T-alpha in layered crystals. Here, we present an analytical lattice dynamical theory of these phenomena for a two-dimensional (2D) hexagonal crystal. We start from a Hamiltonian that comprises anharmonic terms of third and fourth order in the lattice displacements. The in-plane and out-of-plane contributions to the thermal expansion are studied as functions of T for crystals of different sizes. Besides, renormalization of the flexural mode frequencies plays a crucial role in determining the crossover temperature T-alpha. Numerical examples are given for graphene where the anharmonic couplings are determined from experiments. The theory is applicable to other layer crystals wherever the anharmonic couplings are known. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000364690400014 | Publication Date | 2015-08-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0370-1972 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.674 | Times cited | 21 | Open Access | |
| Notes | ; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the Euro GRAPHENE project CONGRAN. ; | Approved | Most recent IF: 1.674; 2015 IF: 1.489 | ||
| Call Number | UA @ lucian @ c:irua:130281 | Serial | 4264 | ||
| Permanent link to this record | |||||
| Author | Matulis, A.; Zarenia, M.; Peeters, F.M. | ||||
| Title | Wave fronts and packets in 1D models of different meta-materials : graphene, left-handed media and transmission line | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physica status solidi: B: basic research | Abbreviated Journal |
Phys Status Solidi B |
| Volume | 252 | Issue | 252 | Pages | 2330-2338 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | A comparative study is made of the propagation of wave packets and fronts in three different meta-media, i.e. graphene, left-handed media (LHM) and transmission lines, using one-dimensional models. It is shown that a potential step in graphene influences only the frequency of the electronic wave, i.e., the particular spectrum branch (electron or hole) to which the wave belongs to, while the envelop function (the wave front or packet form) remains unchanged. Although the model for a vacuum and LHM interface is similar to that of the potential step in graphene, the solutions are quite different due to differences in the chirality of the waves. Comparing the propagation of wave fronts and packets in a standard transmission line and its meta-analog we demonstrate that the propagating packets in the meta-line are much more deformed as compared to the standard one, including broadening, asymmetry and even the appearance of fast moving precursors. This influence is seen not only in the case of packets with steep fronts but in soft Gaussian packets as well. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000362722300025 | Publication Date | 2015-07-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0370-1972 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.674 | Times cited | 1 | Open Access | |
| Notes | ; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government, and the European Social Fund under the Global Grant Measure (Grant No. VP1-3.1-SMM-07-K-02-046). ; | Approved | Most recent IF: 1.674; 2015 IF: 1.489 | ||
| Call Number | UA @ lucian @ c:irua:128776 | Serial | 4277 | ||
| Permanent link to this record | |||||
| Author | Moldovan, D.; Peeters, F.M. | ||||
| Title | Strain engineering of the electronic properties of bilayer graphene quantum dots: Strain engineering of the electronic properties of bilayer graphene quantum dots | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physica status solidi: rapid research letters | Abbreviated Journal |
Phys Status Solidi-R |
| Volume | 10 | Issue | 10 | Pages | 39-45 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We study the effect of mechanical deformations on the elec- tronic properties of hexagonal flakes of bilayer graphene. The behavior of electrons induced by triaxial strain can be de- scribed by an effective pseudo-magnetic field which is homo- geneous in the center of the flake. We find that in-plane strain, applied to both layers equally, can break the layer symmetry leading to different behavior in the top and bottom layers of graphene. At low energy, just one of the layers feels the pseudo-magnetic field: the zero-energy pseudo-Landau level is missing in the second layer, thus creating a gap be- tween the lowest non-zero levels. While the layer asymmetry is most significant at zero energy, interaction with the edges of the flake extends the effect to higher pseudo-Landau lev- els. The behavior of the top and bottom layers may be re- versed by rotating the triaxial strain by 60°. |
||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000368814500005 | Publication Date | 2015-08-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1862-6254; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.032 | Times cited | 9 | Open Access | |
| Notes | This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government. | Approved | Most recent IF: 3.032; 2015 IF: 2.142 | ||
| Call Number | c:irua:129592 | Serial | 3970 | ||
| Permanent link to this record | |||||
| Author | Magnus, W.; Nelissen, K. | ||||
| Title | Quantum diffusion: A simple, exactly solvable model | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physica: A : theoretical and statistical physics | Abbreviated Journal |
Physica A |
| Volume | 417 | Issue | 417 | Pages | 96-101 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We propose a simple quantum mechanical model describing the time dependent diffusion current between two fermion reservoirs that were initially disconnected and characterized by different densities or chemical potentials. The exact, analytical solution of the model yields the transient behavior of the coupled fermion systems evolving to a final steady state, whereas the long-time behavior is determined by a power law rather than by exponential decay. Similar results are obtained for the entropy production which is proportional to the diffusion current. (C) 2014 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000345721800011 | Publication Date | 2014-09-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0378-4371; | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.243 | Times cited | Open Access | ||
| Notes | ; ; | Approved | Most recent IF: 2.243; 2015 IF: 1.732 | ||
| Call Number | c:irua:122170 | Serial | 2777 | ||
| Permanent link to this record | |||||