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Author Mirzakhani, M.; Peeters, F.M.; Zarenia, M.
Title Circular quantum dots in twisted bilayer graphene Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 7 Pages 075413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Within a tight-binding approach, we investigate the effect of twisting angle on the energy levels of circular bilayer graphene (BLG) quantum dots (QDs) in both the absence and presence of a perpendicular magnetic field. The QDs are defined by an infinite-mass potential, so that the specific edge effects are not present. In the absence of magnetic field (or when the magnetic length is larger than the moire length), we show that the low-energy states in twisted BLG QDs are completely affected by the formation of moire patterns, with a strong localization at AA-stacked regions. When magnetic field increases, the energy gap of an untwisted BLG QD closes with the edge states, localized at the boundaries between the AA- and AB-stacked spots in a twisted BLG QD. Our observation of the spatial localization of the electrons in twisted BLG QDs can be experimentally probed by low-bias scanning tunneling microscopy measurements.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000512772200004 Publication Date 2020-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 13 Open Access
Notes ; We gratefully acknowledge discussions with I. Snyman. M.Z. acknowledges support from the U.S. Department of Energy (Office of Science) under Grant No. DE-FG0205ER46203. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:166493 Serial 6470
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Author Van Pottelberge, R.
Title Comment on “Electron states for gapped pseudospin-1 fermions in the field of a charged impurity” Type Editorial
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 19 Pages 197102-197103
Keywords Editorial; Condensed Matter Theory (CMT)
Abstract In a recent paper [Phys. Rev. B 99, 155124 (2019)], the spectrum of a regularized Coulomb charge was studied in gapped pseudospin-1 systems generated by an alpha – T-3 lattice. The electronic spectrum was studied as a function of the impurity strength Z alpha. However, the results and conclusions on the behavior of the flatband states as a function of the impurity strength are incomplete. In this Comment, I argue that because of the dispersionless nature of the flatband, the states spread out under the influence of a charged impurity forming a continuous band of states. I support my arguments with explicit numerical calculations which show the emergence of a continuum of states.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000533793600004 Publication Date 2020-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited Open Access
Notes ; I would like to acknowledge very insightful discussions with the authors of the commented paper (V. P. Gusynin, E. V. Gorbar, and D. O. Oriekhov). F. M. Peeters is acknowledged for interesting discussions and proofreading. This research was supported by the Flemish Science Foundation through an aspirant research grant for R.V.P. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:169476 Serial 6472
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Author Vargas Paredes, A.A.; Shanenko, A.A.; Vagov, A.; Milošević, M.V.; Perali, A.
Title Crossband versus intraband pairing in superconductors: signatures and consequences of the interplay Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 9 Pages 094516-94517
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We analyze the paradigmatic competition between intraband and crossband Cooper-pair formation in twoband superconductors, neglected in most works to date. We derive the phase-sensitive gap equations and describe the crossover between the intraband-dominated and the crossband-dominated regimes, delimited by a “gapless” state. Experimental signatures of crosspairing comprise notable gap splitting in the excitation spectrum, non-BCS behavior of gaps versus temperature, as well as changes in the pairing symmetry as a function of temperature. The consequences of these findings are illustrated on the examples of MgB2 and Ba0.6K0.4Fe2As2.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000522074900002 Publication Date 2020-03-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 14 Open Access
Notes ; This collaborative work was fostered within the international Multi Super network on Multi-condensate Superconductivity and Superfluidity [70]. The authors thank Andrea Guidini for his help during the initial stage of this work and Laura Fanfarillo for useful discussions. This work was partially supported by the Italian MIUR through the PRIN 2015 program (Contract No. 2015C5SEJJ001) and the Research Foundation -Flanders (FWO). A.A.V.-P. acknowledges support by the joint doctoral program and by the Erasmus+ exchange between the University of Antwerp and the University of Camerino. M.V.M. gratefully acknowledges support from a Visiting Professorship at the University of Camerino. A.S. and A.V. acknowledge support from the CAPES/Print Grant, Process No. 88887.333666/ 2019-00 (Brazil) and the Russian Science Foundation Project No. 18-12-00429, respectively. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:168605 Serial 6479
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Author Conti, S.; Van der Donck, M.; Perali, A.; Peeters, F.M.; Neilson, D.
Title Doping-dependent switch from one- to two-component superfluidity in coupled electron-hole van der Waals heterostructures Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 22 Pages 220504-220506
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The hunt for high-temperature superfluidity has received new impetus from the discovery of atomically thin stable materials. Electron-hole superfluidity in coupled MoSe2-WSe2 monolayers is investigated using a mean-field multiband model that includes band splitting caused by strong spin-orbit coupling. This splitting leads to a large energy misalignment of the electron and hole bands which is strongly modified by interchanging the doping of the monolayers. The choice of doping determines if the superfluidity is tunable from one to two components.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000538941900002 Publication Date 2020-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 11 Open Access
Notes ; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl), the Methusalem Foundation, and the FLAG-ERA project TRANS2DTMD. We thank A. R. Hamilton and A. Vargas-Paredes for useful discussions. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:170201 Serial 6489
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Author Saberi-Pouya, S.; Conti, S.; Perali, A.; Croxall, A.F.; Hamilton, A.R.; Peeters, F.M.; Neilson, D.
Title Experimental conditions for the observation of electron-hole superfluidity in GaAs heterostructures Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 14 Pages 140501-140506
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The experimental parameter ranges needed to generate superfluidity in optical and drag experiments in GaAs double quantum wells are determined using a formalism that includes self-consistent screening of the Coulomb pairing interaction in the presence of the superfluid. The very different electron and hole masses in GaAs make this a particularly interesting system for superfluidity with exotic superfluid phases predicted in the BCS-Bose-Einstein condensation crossover regime. We find that the density and temperature ranges for superfluidity cover the range for which optical experiments have observed indications of superfluidity but that existing drag experiments lie outside the superfluid range. We also show that, for samples with low mobility with no macroscopically connected superfluidity, if the superfluidity survives in randomly distributed localized pockets, standard quantum capacitance measurements could detect these pockets.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000523627600001 Publication Date 2020-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 13 Open Access
Notes ; We thank K. Das Gupta, F. Dubin, U. Siciliani de Cumis, M. Pini, and J. Waldie for illuminating discus-sions. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics (Project No. CE170100039). ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:168561 Serial 6517
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Author Van der Donck, M.; Zarenia, M.; Peeters, F.M.
Title Reply to “Comment on `Excitons, trions, and biexcitons in transition-metal dichalcogenides: Magnetic-field dependence'” Type Editorial
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 12 Pages 127402
Keywords Editorial; Condensed Matter Theory (CMT)
Abstract In the Comment, the authors state that the separation of the relative and center of mass variables in our work is not correct. Here we point out that there is a typographical error, i.e., qi instead of -e, in two of our equations which, when corrected, makes the Comment redundant. Within the ansatzes mentioned in our paper all our results are correct, in contrast to the claims of the Comment.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000519990800011 Publication Date 2020-03-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited Open Access
Notes ; ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:167680 Serial 6594
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Author Li, L.L.; Bacaksiz, C.; Nakhaee, M.; Pentcheva, R.; Peeters, F.M.; Yagmurcukardes, M.
Title Single-layer Janus black arsenic-phosphorus (b-AsP): optical dichroism, anisotropic vibrational, thermal, and elastic properties Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 13 Pages 134102-134109
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By using density functional theory (DFT) calculations, we predict a puckered, dynamically stable Janus single-layer black arsenic-phosphorus (b-AsP), which is composed of two different atomic sublayers, arsenic and phosphorus atoms. The calculated phonon spectrum reveals that Janus single-layer b-AsP is dynamically stable with either pure or coupled optical phonon branches arising from As and P atoms. The calculated Raman spectrum indicates that due to the relatively strong P-P bonds, As atoms have no contribution to the highfrequency optical vibrations. In addition, the orientation-dependent isovolume heat capacity reveals anisotropic contributions of LA and TA phonon branches to the low-temperature thermal properties. Unlike pristine single layers of b-As and b-P, Janus single-layer b-AsP exhibits additional out-of-plane asymmetry which leads to important consequences for its electronic, optical, and elastic properties. In contrast to single-layer b-As, Janus single-layer b-AsP is found to possess a direct band gap dominated by the P atoms. Moreover, real and imaginary parts of the dynamical dielectric function, including excitonic effects, reveal the highly anisotropic optical feature of the Janus single-layer. A tight-binding (TB) model is also presented for Janus single-layer b-AsP, and it is shown that, with up to seven nearest hoppings, the TB model reproduces well the DFT band structure in the low-energy region around the band gap. This TB model can be used in combination with the Green's function approach to study, e.g., quantum transport in finite systems based on Janus single-layer b-AsP. Furthermore, the linear-elastic properties of Janus single-layer b-AsP are investigated, and the orientation-dependent in-plane stiffness and Poisson ratio are calculated. It is found that the Janus single layer exhibits strong in-plane anisotropy in its Poisson ratio much larger than that of single-layer b-P. This Janus single layer is relevant for promising applications in optical dichroism and anisotropic nanoelasticity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000524531900001 Publication Date 2020-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 30 Open Access
Notes ; This work was supported by the German Science Foundation (DFG) within SFB/TRR80 (project G3) and the FLAGERA project TRANS-2D-TMD. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). Computational resources were provided by the Flemish Supercomputer Center (VSC) and Leibniz Supercomputer Centrum (project pr87ro). ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:168554 Serial 6602
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Author Zhang, L.; Zhang, Y.-Y.; Zha, G.-Q.; Milošević, M.V.; Zhou, S.-P.
Title Skyrmionic chains and lattices in s plus id superconductors Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 6 Pages 064501
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report characteristic vortex configurations in s + id superconductors with time-reversal symmetry breaking, exposed to magnetic field. A vortex in the s + id state tends to have an opposite phase winding between s- and d-wave condensates. We find that this peculiar feature together with the competition between s- and d-wave symmetry results in three distinct classes of vortical configurations. When either s or d condensate absolutely dominates, vortices form a conventional lattice. However, when one condensate is relatively dominant, vortices organize in chains that exhibit skyrmionic character, separating the chiral components of the s +/- id order parameter into domains within and outside the chain. Such skyrmionic chains are found stable even at high magnetic field. When s and d condensates have comparable strength, vortices split cores in two chiral components to form full-fledged skyrmions, i.e., coreless topological structures with an integer topological charge, organized in a lattice. We provide characteristic magnetic field distributions of all states, enabling their identification in, e.g., scanning Hall probe and scanning SQUID experiments. These unique vortex states are relevant for high-T-c cuprate and iron-based superconductors, where the relative strength of competing pairing symmetries is expected to be tuned by temperature and/or doping level, and can help distinguish s + is and s + id superconducting phases.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000510745600005 Publication Date 2020-02-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 7 Open Access
Notes ; The authors acknowledge useful discussions with Yong-Ping Zhang. This research was supported by the National Natural Science Foundation of China under Grants No. 61571277 and No. 61771298. L.-F.Z. and M.V.M. acknowledge support from Research Foundation-Flanders (FWO-Vlaanderen). ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:166507 Serial 6605
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Author Menezes, R.M.; de Souza Silva, C.C.; Milošević, M.V.
Title Spin textures in chiral magnetic monolayers with suppressed nearest-neighbor exchange Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 21 Pages 214429-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract High tunability of two-dimensional magnetic materials (by strain, gating, heterostructuring, or otherwise) provides unique conditions for studying versatile magnetic properties and controlling emergent magnetic phases. Expanding the scope of achievable magnetic phenomena in such materials is important for both fundamental and technological advances. Here we perform atomistic spin-dynamics simulations to explore the (chiral) magnetic phases of atomic monolayers in the limit of suppressed first-neighbors exchange interaction. We report the rich phase diagram of exotic magnetic configurations, obtained for both square and honeycomb lattice symmetries, comprising coexistence of ferromagnetic and antiferromagnetic spin cycloids, as well as multiple types of magnetic skyrmions. We perform a minimum-energy path analysis for the skyrmion collapse to evaluate the stability of such topological objects and reveal that magnetic monolayers could be good candidates to host the antiferromagnetic skyrmions that are experimentally evasive to date.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000540910100002 Publication Date 2020-06-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 1 Open Access
Notes ; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen) and Brazilian Agencies FACEPE (under Grant No. APQ-0198-1.05/14), CAPES, and CNPq. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:170176 Serial 6610
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Author Yagmurcukardes, M.; Peeters, F.M.
Title Stable single layer of Janus MoSO: strong out-of-plane piezoelectricity Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 15 Pages 155205-155208
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using density functional theory based first-principles calculations, we predict the dynamically stable 1H phase of a Janus single layer composed of S-Mo-O atomic layers. It is an indirect band gap semiconductor exhibiting strong polarization arising from the charge difference on the two surfaces. In contrast to 1H phases of MoS2 and MoO2, Janus MoSO is found to possess four Raman active phonon modes and a large out-of-plane piezoelectric coefficient which is absent in fully symmetric single layers of MoS2 and MoO2. We investigated the electronic and phononic properties under applied biaxial strain and found an electronic phase transition with tensile strain while the conduction band edge displays a shift when under compressive strain. Furthermore, single-layer MoSO exhibits phononic stability up to 5% of compressive and 11% of tensile strain with significant phonon shifts. The phonon instability is shown to arise from the soft in-plane and out-of-plane acoustic modes at finite wave vector. The large strain tolerance of Janus MoSO is important for nanoelastic applications. In view of the dynamical stability even under moderate strain, we expect that Janus MoSO can be fabricated in the common 1H phase with a strong out-of-plane piezoelectric coefficient.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000528507900003 Publication Date 2020-04-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 49 Open Access
Notes ; Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:169566 Serial 6614
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Author Zhao, X.N.; Xu, W.; Xiao, Y.M.; Liu, J.; Van Duppen, B.; Peeters, F.M.
Title Terahertz optical Hall effect in monolayer MoS₂ in the presence of proximity-induced interactions Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 24 Pages 245412-12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of proximity-induced interactions such as Rashba spin-orbit coupling (SOC) and exchange interaction on the electronic and optical properties of n-type monolayer (ML) MoS2 is investigated. We predict and demonstrate that the Rashba SOC can induce an in-plane spin splitting with terahertz (THz) energy, while the exchange interaction lifts the energy degeneracy in different valleys. Thus, spin polarization can be achieved in an n-type ML MoS2 and valley Hall or optical Hall effect can be observed using linearly polarized THz radiation. In such a case, the transverse optical conductivity sigma(xy) (omega) results from spin-flip transition within spin-split conduction bands and from the fact that contributions from electrons with different spin orientations in different valleys can no longer be canceled out. Interestingly, we find that for fixed effective Zeeman field (or exchange interaction) the lowest spin-split conduction band in ML MoS2 can be tuned from one in the K valley to another one in the K' valley by varying the Rashba parameter lambda(R). Therefore, by changing lambda(R) we can turn the sign of the spin polarization and Im sigma(xy) (omega) from positive to negative. Moreover, we find that the dominant contribution of the selection rules to sigma(xx)(omega) is from electrons in the K valley and to sigma(xy) (omega) is from electrons in the K' valley. These important and interesting theoretical findings can be helpful to experimental observation of the optical Hall effect in valleytronic systems using linearly polarized THz radiation fields.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000538715500011 Publication Date 2020-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 5 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China (Grants No. U1930116, No. U1832153, and No. 11574319) and the Center of Science and Technology of Hefei Academy of Science (Grant No. 2016FXZY002). ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:170206 Serial 6622
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Author Bafekry, A.; Neek-Amal, M.
Title Tuning the electronic properties of graphene-graphitic carbon nitride heterostructures and heterojunctions by using an electric field Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 8 Pages 085417-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Integration of graphene-based two-dimensional materials is essential for nanoelectronics applications. Using density-functional theory, we systematically investigate the electronic properties of vertically stacked graphene-graphitic carbon nitrides (GE/GCN). We also studied the covalently lateral stitched graphene-graphitic carbon nitrides (GE-GCN heterojunctions). The effects of perpendicular electric field on the electronic properties of six different heterostructures, i.e., (i) one layer of GE on top of a layer of CnNm with (n, m) = (3,1), (3,4), and (4,3) and (ii) three heterostructures CnNm/Cn'Nm', where (n, m) not equal (n', m') are elucidated. The most important calculated features are (i) the systems GE/C3N4, C3N/C3N4, GE-C3N, GE-C4N3, and C3N-C3N4 exhibit semiconducting characteristics having small band gaps of Delta(0)=20, 250, 100, 100, 80 meV, respectively while (ii) the systems GE/C4N3, C3N/C4N3, and C3N-C4N3 show ferromagnetic-metallic properties. In particular, we found that, in semiconducting heterostructures, the band gap increases nontrivially with increasing the absolute value of the applied perpendicular electric field. This work is useful for designing heterojunctions and heterostructures made of graphene and other two-dimensional materials such as those proposed in recent experiments [X. Liu and M. C. Hersam Sci. Adv. 5, 6444 (2019)].
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000515659700007 Publication Date 2020-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 24 Open Access
Notes ; ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:167760 Serial 6640
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Author Bafekry, A.; Neek-Amal, M.; Peeters, F.M.
Title Two-dimensional graphitic carbon nitrides: strain-tunable ferromagnetic ordering Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 16 Pages 165407-165408
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first-principle calculations, we systematically study strain tuning of the electronic properties of two- dimensional graphitic carbon nitride nanosheets with empirical formula CnNm. We found the following: (i) the ferromagnetic ordered state in the metal-free systems (n, m) = (4,3), (10,9), and (14,12) remains stable in the presence of strain of about 6%. However, the system (9,7) loses its ferromagnetic ordering when increasing strain. This is due to the presence of topological defects in the (9,7) system, which eliminates the asymmetry between spin up and spin down of the p(z) orbitals when strain is applied. (ii) By applying uniaxial strain, a band gap opens in systems which are initially gapless. (iii) In semiconducting systems which have an initial gap of about 1 eV, the band gap is closed with applying uniaxial strain.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000523630200012 Publication Date 2020-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 22 Open Access
Notes ; ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:168560 Serial 6643
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Author Wozniak, T.; Faria, P.E., Jr.; Seifert, G.; Chaves, A.; Kunstmann, J.
Title Exciton g factors of van der Waals heterostructures from first-principles calculations Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume (down) 101 Issue 23 Pages 235408-235411
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract External fields are a powerful tool to probe optical excitations in a material. The linear energy shift of an excitation in a magnetic field is quantified by its effective g factor. Here we show how exciton g factors and their sign can be determined by converged first-principles calculations. We apply the method to monolayer excitons in semiconducting transition metal dichalcogenides and to interlayer excitons in MoSe2/WSe2 heterobilayers and obtain good agreement with recent experimental data. The precision of our method allows us to assign measured g factors of optical peaks to specific transitions in the band structure and also to specific regions of the samples. This revealed the nature of various, previously measured interlayer exciton peaks. We further show that, due to specific optical selection rules, g factors in van der Waals heterostructures are strongly spin and stacking-dependent. The calculation of orbital angular momenta requires the summation over hundreds of bands, indicating that for the considered two-dimensional materials the basis set size is a critical numerical issue. The presented approach can potentially be applied to a wide variety of semiconductors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000537315100009 Publication Date 2020-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited Open Access
Notes Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:170219 Serial 7944
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Author Grimaldi, G.; Leo, A.; Nigro, A.; Silhanek, A.V.; Verellen, N.; Moshchalkov, V.V.; Milošević, M.V.; Casaburi, A.; Cristiano, R.; Pace, S.
Title Controlling flux flow dissipation by changing flux pinning in superconducting films Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume (down) 100 Issue 20 Pages 202601-202601,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the flux flow state in superconducting materials characterized by rather strong intrinsic pinning, such as Nb, NbN, and nanostructured Al thin films, in which we drag the superconducting dissipative state into the normal state by current biasing. We modify the vortex pinning strength either by ion irradiation, by tuning the measuring temperature or by including artificial pinning centers. We measure critical flux flow voltages for all materials and the same effect is observed: switching to low flux flow dissipations at low fields for an intermediate pinning regime. This mechanism offers a way to additionally promote the stability of the superconducting state. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4718309]
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000304265000051 Publication Date 2012-05-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 33 Open Access
Notes ; ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:98946 Serial 504
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Author Neek-Amal, M.; Peeters, F.M.
Title Effect of grain boundary on the buckling of graphene nanoribbons Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume (down) 100 Issue 10 Pages 101905-101905,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We consider the buckling transition of two kinds of grain boundaries with special symmetry. When graphene contains a large angle grain boundary with theta = 21.8 degrees, the buckling strains are larger than those of perfect graphene when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. This is opposite for the results of theta = 32.2 degrees. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions, the presence of the particular used grain boundaries, and the direction of applied in-plane compressive tension. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692573]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000301655500021 Publication Date 2012-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 18 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:97794 Serial 809
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Author Lujan, G.S.; Sorée, B.; Magnus, W.; de Meyer, K.
Title A method to calculate tunneling leakage currents in silicon inversion layers Type A1 Journal article
Year 2006 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume (down) 100 Issue 3 Pages 033708,1-5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000239764100051 Publication Date 2006-08-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 1 Open Access
Notes Approved Most recent IF: 2.068; 2006 IF: 2.316
Call Number UA @ lucian @ c:irua:60963 Serial 2016
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Author Vandenberghe, W.G.; Verhulst, A.S.; Kao, K.-H.; De Meyer, K.; Sorée, B.; Magnus, W.; Groeseneken, G.
Title A model determining optimal doping concentration and material's band gap of tunnel field-effect transistors Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume (down) 100 Issue 19 Pages 193509-193509,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We develop a model for the tunnel field-effect transistor (TFET) based on the Wentzel-Kramer-Brillouin approximation which improves over existing semi-classical models employing generation rates. We hereby introduce the concept of a characteristic tunneling length in direct semiconductors. Based on the model, we show that a limited density of states results in an optimal doping concentration as well as an optimal material's band gap to obtain the highest TFET on-current at a given supply voltage. The observed optimal-doping trend is confirmed by 2-dimensional quantum-mechanical simulations for silicon and germanium. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4714544]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000304108000098 Publication Date 2012-05-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 25 Open Access
Notes ; William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by IMEC's Industrial Affiliation Program. ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:98948 Serial 2105
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Author Costamagna, S.; Schulz, A.; Covaci, L.; Peeters, F.
Title Partially unzipped carbon nanotubes as magnetic field sensors Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume (down) 100 Issue 23 Pages 232104-232104,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The conductance through graphene nanoribbons (GNR) connected to a partially unzipped carbon nanotube (CNT) is studied in the presence of an external magnetic field applied parallel to the long axis of the tube by means of non-equilibrium Green's function technique. We consider CNTs that are partially unzipped to form armchair-GNR/zigzag-CNT/armchair-GNR or zigzag-GNR/armchair-CNT/zigzag-GNR junctions. We find that the inclusion of a longitudinal magnetic field affects the electronic states only in the CNT region, leading to the suppression of the conductance at low energies. We demonstrate that both types of junctions can be used as magnetic field sensors. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4726039]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000305089900038 Publication Date 2012-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 10 Open Access
Notes ; L.C. acknowledges support from the Flemish Science Foundation (FWO-Vl) and S.C. from the Belgian Science Foundation (BELSPO). This work is supported by the ESF-EuroGRAPHENE Project CONGRAN. ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:99083 Serial 2556
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Author Barbier, M.; Papp, G.; Peeters, F.M.
Title Snake states and Klein tunneling in a graphene Hall bar with a pn-junction Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume (down) 100 Issue 16 Pages 163121-163121,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Hall (R-H) and bend (R-B) resistances of a graphene Hall bar structure containing a pn-junction are calculated when in the ballistic regime. The simulations are done using the billiard model. Introducing a pn-junction-dividing the Hall bar geometry in two regions-leads to two distinct regimes exhibiting very different physics: (1) both regions are of n-type and (2) one region is n-type and the other p-type. In regime (1), a “Hall plateau”-an enhancement of the resistance-appears for R-H. On the other hand, in regime (2), we found a negative R-H, which approaches zero for large B. The bend resistance is highly asymmetric in regime (2) and the resistance increases with increasing magnetic field B in one direction while it reduces to zero in the other direction. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4704667]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000303128500064 Publication Date 2012-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 20 Open Access
Notes ; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-EuroGRAPHENE project CONGRAN. ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:99129 Serial 3047
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Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
Title Spatially dependent sensitivity of superconducting meanders as single-photon detectors Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume (down) 100 Issue 26 Pages 262603
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The photo-response of a thin current-carrying superconducting stripe with a 90 degrees turn is studied within the time-dependent Ginzburg-Landau theory. We show that the photon acting near the inner corner (where the current density is maximal due to the current crowding [J. R. Clem and K. K. Berggren, Phys. Rev. B 84, 174510 (2011)]) triggers the nucleation of superconducting vortices at currents much smaller than the expected critical one, but does not bring the system to a higher resistive state and thus remains undetected. The transition to the resistive state occurs only when the photon hits the stripe away from the corner due to there uniform current distribution across the sample, and dissipation is due to the nucleation of a kinematic vortex-antivortex pair near the photon incidence. We propose strategies to account for this problem in the measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4731627]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000305831500057 Publication Date 2012-06-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 27 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-VI). G. R. B. acknowledges individual support from FWO-VI. ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:100336 Serial 3066
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Author Farias, G.A.; Peeters, F.M.
Title Structural transitions in a finite classical two-dimensional system Type A1 Journal article
Year 1996 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume (down) 100 Issue Pages 711-715
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1996VU47000008 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.897 Times cited 25 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:15788 Serial 3269
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Author Papp, G.; Peeters, F.M.
Title Tunable giant magnetoresistance with magnetic barriers Type A1 Journal article
Year 2006 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume (down) 100 Issue 4 Pages 043707,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000240236800056 Publication Date 2006-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 49 Open Access
Notes Approved Most recent IF: 2.068; 2006 IF: 2.316
Call Number UA @ lucian @ c:irua:60812 Serial 3742
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Author Zhang, S.; Sahin, H.; Torun, E.; Peeters, F.; Martien, D.; DaPron, T.; Dilley, N.; Newman, N.
Title Fundamental mechanisms responsible for the temperature coefficient of resonant frequency in microwave dielectric ceramics Type A1 Journal article
Year 2017 Publication Journal of the American Ceramic Society Abbreviated Journal J Am Ceram Soc
Volume (down) 100 Issue 100 Pages 1508-1516
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The temperature coefficient of resonant frequency ((f)) of a microwave resonator is determined by three materials parameters according to the following equation: (f)=-(1/2 (epsilon) + 1/2 + (L)), where (L), (epsilon), and are defined as the linear temperature coefficients of the lattice constant, dielectric constant, and magnetic permeability, respectively. We have experimentally determined each of these parameters for Ba(Zn1/3Ta2/3)O-3, 0.8 at.% Ni-doped Ba(Zn1/3Ta2/3)O-3, and Ba(Ni1/3Ta2/3)O-3 ceramics. These results, in combination with density functional theory calculations, have allowed us to develop a much improved understanding of the fundamental physical mechanisms responsible for the temperature coefficient of resonant frequency, (f).
Address
Corporate Author Thesis
Publisher Place of Publication Columbus, Ohio Editor
Language Wos 000399610800034 Publication Date 2017-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7820 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.841 Times cited 6 Open Access
Notes ; ; Approved Most recent IF: 2.841
Call Number UA @ lucian @ c:irua:143682 Serial 4597
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Author Sabzalipour, A.; Partoens, B.
Title Anomalous Hall effect in magnetic topological insulators : semiclassical framework Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume (down) 100 Issue 3 Pages 035419
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The anomalous Hall effect (AHE) is studied on the surface of a 3D magnetic topological insulator. By applying a modified semiclassical framework, all three contributions to the AHE, the Berry curvature effect, the side jump effect and the skew scattering effects are systematically treated, and analytical expressions for the conductivities are obtained in terms of the Fermi level, the spatial orientation of the surface magnetization and the concentration of magnetic and nonmagnetic impurities. We demonstrate that the AHE can change sign by altering the orientation of the surface magnetization, the concentration of the impurities and also the position of the Fermi level, in agreement with recent experimental observations. We show how each contribution to the AHE, or even the whole AHE, can be turned off by properly adjusting the given parameters. For example, one can turn off the anomalous hall conductivity in a system with in-plane magnetization by pushing the system into the fully metallic regime.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000475499200007 Publication Date 2019-07-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 2 Open Access
Notes ; ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:161219 Serial 5406
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Author Topalovic, D.B.; Arsoski, V.V.; Tadic, M.Z.; Peeters, F.M.
Title Confined electron states in two-dimensional HgTe in magnetic field : quantum dot versus quantum ring behavior Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume (down) 100 Issue 12 Pages 125304
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the electron states and optical absorption in square- and hexagonal-shaped two-dimensional (2D) HgTe quantum dots and quantum rings in the presence of a perpendicular magnetic field. The electronic structure is modeled by means of the sp(3)d(5)s* tight-binding method within the nearest-neighbor approximation. Both bulklike and edge states appear in the energy spectrum. The bulklike states in quantum rings exhibit Aharonov-Bohm oscillations in magnetic field, whereas no such oscillations are found in quantum dots, which is ascribed to the different topology of the two systems. When magnetic field varies, all the edge states in square quantum dots appear as quasibands composed of almost fully flat levels, whereas some edge states in quantum rings are found to oscillate with magnetic field. However, the edge states in hexagonal quantum dots are localized like in rings. The absorption spectra of all the structures consist of numerous absorption lines, which substantially overlap even for small line broadening. The absorption lines in the infrared are found to originate from transitions between edge states. It is shown that the magnetic field can be used to efficiently tune the optical absorption of HgTe 2D quantum dot and quantum ring systems.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000486638400007 Publication Date 2019-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 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 Projects No. III 41028, No. III 42008, and No. III 45003 funded by the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:162787 Serial 5409
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Author Abdullah, H.M.; da Costa, D.R.; Bahlouli, H.; Chaves, A.; Peeters, F.M.; Van Duppen, B.
Title Electron collimation at van der Waals domain walls in bilayer graphene Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume (down) 100 Issue 4 Pages 045137
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We show that a domain wall separating single-layer graphene and AA-stacked bilayer graphene (AA-BLG) can be used to generate highly collimated electron beams which can be steered by a magnetic field. Two distinct configurations are studied, namely, locally delaminated AA-BLG and terminated AA-BLG whose terminal edge types are assumed to be either zigzag or armchair. We investigate the electron scattering using semiclassical dynamics and verify the results independently with wave-packet dynamics simulations. We find that the proposed system supports two distinct types of collimated beams that correspond to the lower and upper cones in AA-BLG. Our computational results also reveal that collimation is robust against the number of layers connected to AA-BLG and terminal edges.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000477892800005 Publication Date 2019-07-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 10 Open Access
Notes ; H.M.A. and H.B. acknowledge the support of King Fahd University of Petroleum and Minerals under research group Project No. RG181001. D.R.C and A.C. were financially supported by the Brazilian Council for Research (CNPq) and CAPES foundation. B.V.D. is supported by a postdoctoral fellowship by the Research Foundation Flanders (FWO-Vl). ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:161887 Serial 5410
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Author Yagmurcukardes, M.; Sevik, C.; Peeters, F.M.
Title Electronic, vibrational, elastic, and piezoelectric properties of monolayer Janus MoSTe phases: A first-principles study Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume (down) 100 Issue 4 Pages 045415
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By performing density functional theory based first-principles calculations, the electronic, vibrational, elastic, and piezoelectric properties of two dynamically stable crystal phases of monolayer Janus MoSTe, namely 1H-MoSTe and 1T'-MoSTe, are investigated. Vibrational frequency analysis reveals that the other possible crystal structure, 1T-MoSTe, of this Janus monolayer does not exhibit dynamical stability. The 1H-MoSTe phase is found to be an indirect band-gap semiconductor while 1T'-MoSTe is predicted as small-gap semiconductor. Notably, in contrast to the direct band-gap nature of monolayers 1H-MoS2 and 1H-MoTe2, 1H-MoSTe is found to be an indirect gap semiconductor driven by the induced surface strains on each side of the structure. The calculated Raman spectrum of each structure shows unique character enabling us to clearly distinguish the stable crystal phases via Raman measurements. The systematic piezoelectric stress and strain coefficient analysis reveals that out-of-plane piezoelectricity appears in 1H-MoSTe and the noncentral symmetric 1T'-MoSTe has large piezoelectric coefficients. Static total-energy calculations show clearly that the formation of 1T'-MoSTe is feasible by using 1T'-MoTe2 as a basis monolayer. Therefore, we propose that the Janus MoSTe structure can be fabricated in two dynamically stable phases which possess unique electronic, dynamical, and piezoelectric properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000476687800003 Publication Date 2019-07-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 91 Open Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:161899 Serial 5411
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Author Houben, K.; Jochum, J.K.; Lozano, D.P.; Bisht, M.; Menendez, E.; Merkel, D.G.; Ruffer, R.; Chumakov, A., I; Roelants, S.; Partoens, B.; Milošević, M.V.; Peeters, F.M.; Couet, S.; Vantomme, A.; Temst, K.; Van Bael, M.J.
Title In situ study of the \alpha-Sn to \beta-Sn phase transition in low-dimensional systems : phonon behavior and thermodynamic properties Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume (down) 100 Issue 7 Pages 075408
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The densities of phonon states of thin Sn films on InSb substrates are determined during different stages of the alpha-Sn to beta-Sn phase transition using nuclear inelastic x-ray scattering. The vibrational entropy and internal energy per atom as a function of temperature are obtained by numerical integration of the phonon density of states. The free energy as a function of temperature for the nanoscale samples is compared to the free energy obtained from ab initio calculations of bulk tin in the alpha-Sn and beta-Sn phase. In thin films this phase transition is governed by the interplay between the vibrational behavior of the film (the phase transition is driven by the vibrational entropy) and the stabilizing influence of the substrate (which depends on the film thickness). This brings a deeper understanding of the role of lattice vibrations in the phase transition of nanoscale Sn.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000478992800005 Publication Date 2019-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 8 Open Access
Notes ; This work was supported by the Research Foundation Flanders (FWO) and the Concerted Research Action (Grant No. GOA14/007). K.H., S.C., D.P.L., and E.M. wish to thank the FWO for financial support. The authors gratefully acknowledge the European Synchrotron Radiation Facility (ESRF) for the granted beam time and the use of the in situ UHV preparation chamber. The authors thank B. Opperdoes for technical support and T. Peissker and R. Lieten for fruitful discussions. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:161836 Serial 5416
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Author Menezes, R.M.; Neto, J.F.S.; de Souza Silva, C.C.; Milošević, M.V.
Title Manipulation of magnetic skyrmions by superconducting vortices in ferromagnet-superconductor heterostructures Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume (down) 100 Issue 1 Pages 014431
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Dynamics of magnetic skyrmions in hybrid ferromagnetic films harbors interesting physical phenomena and holds promise for technological applications. In this work, we discuss the behavior of magnetic skyrmions when coupled to superconducting vortices in a ferromagnet-superconductor heterostructure. We use numerical simulations and analytic arguments within London and Thiele formalisms to reveal broader possibilities for manipulating the skyrmion-vortex dynamic correlations in the hybrid system, that are not possible in its separated constituents. We explore the thresholds of particular dynamic phases, and quantify the phase diagram as a function of the relevant material parameters, applied current, and induced magnetic torques. Finally, we demonstrate the broad and precise tunability of the skyrmion Hall angle in the presence of vortices, with respect to currents applied to either or both the superconductor and the ferromagnet within the heterostructure.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000477883500004 Publication Date 2019-07-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 17 Open Access
Notes ; This work was supported by the Research Foundation – Flanders (FWO-Vlaanderen) and Brazilian Agencies Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco (FACEPE, under Grant No. APQ-0198-1.05/14), Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES), and Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq). ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:161890 Serial 5421
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