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Author Khoeini, F.; Shakouri; Peeters, F.M.
Title Peculiar half-metallic state in zigzag nanoribbons of MoS2 : spin filtering Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages (up) 125412
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Layered structures of molybdenum disulfide (MoS2) belong to a new class of two-dimensional (2D) semiconductor materials in which monolayers exhibit a direct band gap in their electronic spectrum. This band gap has recently been shown to vanish due to the presence of metallic edge modes when MoS2 monolayers are terminated by zigzag edges on both sides. Here, we demonstrate that a zigzag nanoribbon of MoS2, when exposed to an external exchange field in combination with a transverse electric field, has the potential to exhibit a peculiar half-metallic nature and thereby allows electrons of only one spin direction to move. The peculiarity of such spin-selective conductors originates from a spin switch near the gap-closing region, so the allowed spin orientation can be controlled by means of an external gate voltage. It is shown that the induced half-metallic phase is resistant to random fluctuations of the exchange field as well as the presence of edge vacancies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383238800009 Publication Date 2016-09-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 38 Open Access
Notes ; ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:137130 Serial 4360
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Author Michel, K.H.; Çakir, D.; Sevik, C.; Peeters, F.M.
Title Piezoelectricity in two-dimensional materials : comparative study between lattice dynamics and ab initio calculations Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 95 Issue 95 Pages (up) 125415
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using lattice dynamical theory. The results are compared with corresponding quantities obtained with ab initio calculations. We identify the difference between clamped-ion and relaxed-ion contributions with the dependence on inner strains which are due to the relative displacements of the ions in the unit cell. Lattice dynamics allows us to express the inner-strain contributions in terms of microscopic quantities such as effective ionic charges and optoacoustical couplings, which allows us to clarify differences in the piezoelectric behavior between h-BN and MoS2. Trends in the different microscopic quantities as functions of atomic composition are discussed.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000396013400005 Publication Date 2017-03-11
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 29 Open Access
Notes ; The authors acknowledge useful discussions with L. Wirtz and A. Molina-Sanchez. This work was supported by the Methusalem program and the Fonds voor Wetenschappelijk Onderzoek-Vlaanderen. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:142444 Serial 4603
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Author Bacaksiz, C.; Šabani, D.; Menezes, R.M.; Milošević, M.V.
Title Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue 12 Pages (up) 125418
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract After the discovery of magnetism in monolayer CrI3, the magnetic properties of different 2D materials from the chromium-trihalide family are intuitively assumed to be similar, yielding magnetic anisotropy from the spin-orbit coupling on halide ligands. Here we reveal significant differences between the CrI3 and CrBr3 magnetic monolayers in their magnetic anisotropy, resulting Curie temperature, hysteresis in external magnetic field, and evolution of magnetism with strain, all predominantly attributed to distinctly different interplay of atomic contributions to spin-orbit coupling in two materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000646179300003 Publication Date 2021-03-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 18 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek; Universiteit Antwerpen; Approved Most recent IF: 3.836
Call Number CMT @ cmt @c:irua:177506 Serial 6756
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Author Man, L.F.; Xu, W.; Xiao, Y.M.; Wen, H.; Ding, L.; Van Duppen, B.; Peeters, F.M.
Title Terahertz magneto-optical properties of graphene hydrodynamic electron liquid Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 104 Issue 12 Pages (up) 125420
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The discovery of the hydrodynamic electron liquid (HEL) in graphene [D. Bandurin et al., Science 351, 1055 (2016) and J. Crossno et al., Science 351, 1058 (2016)] has marked the birth of the solid-state HEL which can be probed near room temperature in a table-top setup. Here we examine the terahertz (THz) magneto-optical (MO) properties of a graphene HEL. Considering the case where the magnetic length l(B) = root h/eB is comparable to the mean-free path l(ee) for electron-electron interaction in graphene, the MO conductivities are obtained by taking a momentum balance equation approach on the basis of the Boltzmann equation. We find that when l(B) similar to l(ee), the viscous effect in a HEL can weaken significantly the THz MO effects such as cyclotron resonance and Faraday rotation. The upper hybrid and cyclotron resonance magnetoplasmon modes omega(+/-) are also obtained through the RPA dielectric function. The magnetoplasmons of graphene HEL at large wave-vector regime are affected by the viscous effect, and results in red-shifts of the magnetoplasmon frequencies. We predict that the viscosity in graphene HEL can affect strongly the magneto-optical and magnetoplasmonic properties, which can be verified experimentally.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000704419300004 Publication Date 2021-09-15
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 1 Open Access OpenAccess
Notes Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:182518 Serial 7029
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Author Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
Title Tight-binding model for borophene and borophane Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 97 Issue 12 Pages (up) 125424
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from the simplified linear combination of atomic orbitals method in combination with first-principles calculations, we construct a tight-binding (TB) model in the two-centre approximation for borophene and hydrogenated borophene (borophane). The Slater and Koster approach is applied to calculate the TB Hamiltonian of these systems. We obtain expressions for the Hamiltonian and overlap matrix elements between different orbitals for the different atoms and present the SK coefficients in a nonorthogonal basis set. An anisotropic Dirac cone is found in the band structure of borophane. We derive a Dirac low-energy Hamiltonian and compare the Fermi velocities with that of graphene.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000427983700004 Publication Date 2018-03-21
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 45 Open Access
Notes ; Discussions with Dr. Vahid Derakhshan and M. A. M. Keshtan are gratefully acknowledged. This paper is supported by the Methusalem program of the Flemish government and the FLAT-ERA Project TRANS-2D-TMD. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:150836UA @ admin @ c:irua:150836 Serial 4987
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Author Missault, N.; Vasilopoulos, P.; Peeters, F.M.; Van Duppen, B.
Title Spin- and valley-dependent miniband structure and transport in silicene superlattices Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages (up) 125425
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate silicene superlattices in the presence of a tunable barrier potential U, an exchange field M, and a perpendicular electric field E-z. The resulting miniband structure depends on the spin and valley indices and on the fields M and E-z. These fields determine the minigaps and also affect the additional Dirac points brought about by the periodic potential U. In addition, we consider diffusive transport and assess its dependence on the spin and valley indices as well as on temperature. The corresponding spin and valley polarizations strongly depend on the potential U and can be made almost 100% at very low temperatures at particular values of the Fermi energy.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000372715800009 Publication Date 2016-03-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 49 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 the “Odysseus” Program (N. M.) and with a PhD research grant (B.V.D.). ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:133194 Serial 4246
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Author Van Pottelberge, R.; Peeters, F.M.
Title Tunable circular dipolelike system in graphene : mixed electron-hole states Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 12 Pages (up) 125426
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Coupled electron-hole states are realized in a system consisting of a combination of an electrostatic potential barrier and ring-shaped potential well, which resembles a circular dipole. A perpendicular magnetic field induces confined states inside the Landau gaps which are mainly located at the barrier or ring. Hybridizations between the barrier and ring states are seen as anticrossings in the energy spectrum. As a consequence, the energy levels show an oscillating dependence on the electrostatic potential strength in combination with an oscillating migration of the wave functions between the barrier and ring. At the anticrossing points the quantum state consists of a mixture of electron and hole. The present system mimics closely the behavior of a relativistic dipole on gapped graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000462900200005 Publication Date 2019-03-27
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 3.836 Times cited 3 Open Access
Notes ; We thank M. Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research grant for RVP. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:159409 Serial 5237
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Author Cavalcante, L.S.R.; Chaves, A.; Van Duppen, B.; Peeters, F.M.; Reichman, D.R.
Title Electrostatics of electron-hole interactions in van der Waals heterostructures Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 97 Issue 12 Pages (up) 125427
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000427983700007 Publication Date 2018-03-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 22 Open Access
Notes Discussions with A. Chernikov and A. Raja are gratefully acknowledged. This work has been financially supported by CNPq, through the PRONEX/FUNCAP, PQ, and Science Without Borders programs, and the FWO-CNPq bilateral program between Brazil and Flanders. B.V.D. acknowledges support from the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. D.R.R. was supported by NSF CHE-1464802. Approved Most recent IF: 3.836
Call Number CMT @ cmt @c:irua:150835UA @ admin @ c:irua:150835 Serial 4953
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Author Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Ketabi, S.A.; Peeters, F.M.
Title Landau levels in biased graphene structures with monolayer-bilayer interfaces Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 96 Issue 12 Pages (up) 125430
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electron energy spectrum in monolayer-bilayer-monolayer and in bilayer-monolayer-bilayer graphene structures is investigated and the effects of a perpendicular magnetic field and electric bias are studied. Different types of monolayer-bilayer interfaces are considered as zigzag (ZZ) or armchair (AC) junctions which modify considerably the bulk Landau levels (LLs) when the spectra are plotted as a function of the center coordinate of the cyclotron orbit. Far away from the two interfaces, one obtains the well-known LLs for extended monolayer or bilayer graphene. The LL structure changes significantly at the two interfaces or junctions where the valley degeneracy is lifted for both types of junctions, especially when the distance between them is approximately equal to the magnetic length. Varying the nonuniform bias and the width of this junction-to-junction region in either structure strongly influence the resulting spectra. Significant differences exist between ZZ and AC junctions in both structures. The densities of states (DOSs) for unbiased structures are symmetric in energy whereas those for biased structures are asymmetric. An external bias creates interface LLs in the gaps between the LLs of the unbiased system in which the DOS can be quite small. Such a pattern of LLs can be probed by scanning tunneling microscopy.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000411321800003 Publication Date 2017-09-21
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 6 Open Access
Notes ; This work was supported by the BOF-UA (Bijzonder Onderzoeks Fonds), the Canadian NSERC through Grant No. OGP0121756 (P.V.), and the Methusalem Program of the Flemish Government. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:146746 Serial 4787
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Author Arsoski, V.V.; Grujić, M.M.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M.
Title Normal and skewed phosphorene nanoribbons in combined magnetic and electric fields Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 96 Issue 12 Pages (up) 125434
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The energy spectrum and eigenstates of single-layer black phosphorus nanoribbons in the presence of a perpendicular magnetic field and an in-plane transverse electric field are investigated by means of a tight-binding method, and the effect of different types of edges is examined analytically. A description based on a continuum model is proposed using an expansion of the tight-binding model in the long-wavelength limit. Thewave functions corresponding to the flatband part of the spectrum are obtained analytically and are shown to agree well with the numerical results from the tight-binding method for both narrow (10 nm) and wide (100 nm) nanoribbons. Analytical expressions for the critical magnetic field at which Landau levels are formed and the ranges of wave numbers in the dispersionless flatband segments in the energy spectra are derived. We examine the evolution of the Landau levels when an in-plane lateral electric field is applied, and we determine analytically how the edge states shift withmagnetic field. For wider nanoribbons, the conductance is shown to have a characteristic staircase shape in combined magnetic and electric fields. Some of the stairs in zigzag and skewed armchair nanoribbons originate from edge states that are found in the band gap.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000411572400008 Publication Date 2017-09-25
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 Erasmus+, 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 @ lucian @ c:irua:146738 Serial 4791
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Author Osca, J.; Sorée, B.
Title Skyrmion spin transfer torque due to current confined in a nanowire Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 102 Issue 12 Pages (up) 125436
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In this work we compute the torque field present in a ferromagnet in contact with a metallic nanowire when a skyrmion is present. If the nanowire is narrow enough, then the current is carried by a single conduction band. In this regime the classical torque model breaks down and we show that a skyrmion driven by spin transfer torque moves in a different direction than predicted by the classical model. However, the amount of charge current required to move a skyrmion with a certain velocity in the single-band regime is similar to a classical model of torque where it is implicitly assumed current transport by many conduction bands. The single-band regime is more efficient creating spin current from charge current because of the perfect polarization of the single band but is less efficient creating torque from spin current. Nevertheless, it is possible to take profit of the single-band regime to move skyrmions even with no net charge or spin current flowing between the device contacts. We have also been able to recover the classical limit considering an ensemble of only a few electronic states. In this limit we have discovered that electron diffusion needs to be considered even in ballistic nanowires due the effect of the skyrmion structure on the electron current.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000573775300004 Publication Date 2020-09-30
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 ; The authors thanks Llorenc Serra for useful discussion on the conduction electron quantum model. We also want to show gratitude to Dimitrios Andrikopoulos for sharing his knowledge about the available bibliography and to F. J. P. van Duijn for his comments on earlier versions of this manuscript. We acknowledge the Horizon 2020 project SKYTOP “Skyrmion-Topological Insulator and Weyl Semimetal Technology” (FETPROACT-2018-01, No. 824123). Finally, J.O. also acknowledges the postdoctoral fellowship provided by KU Leuven. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:172727 Serial 6604
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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 101 Issue 12 Pages (up) 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.
Address
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
Permanent link to this record
 
 
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 101 Issue 13 Pages (up) 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
Permanent link to this record
 
 
Author Bekaert, J.
Title Phonon-mediated superconductivity in ternary silicides X₄ CoSi (X = Nb, Ta) Type A1 Journal article
Year 2023 Publication Physical review B Abbreviated Journal
Volume 108 Issue 13 Pages (up) 134504-134507
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The superconducting properties of two recently synthesized ternary silicides with unit formula X<sub>4</sub>CoSi (X = Nb, Ta) are investigated through ab initio calculations combined with Eliashberg theory. Interestingly, their crystal structure comprises interlocking honeycomb networks of Nb/Ta atoms. Nb<sub>4</sub>CoSi is found to harbor better conditions for phonon-mediated superconductivity, as it possesses a higher density of states at the Fermi level, fostering stronger electron-phonon coupling. The superconducting critical temperatures (T<sub>c</sub>) follow the same trend, with Nb<sub>4</sub>CoSi having a twice higher value than Ta<sub>4</sub>CoSi. Furthermore, the calculated T<sub>c</sub> values (5.9 K vs 3.1 K) agree excellently with the experimentally obtained ones, establishing superconductivity in this new materials class as mediated by the electron-phonon coupling. Furthermore, my calculations show that the superconducting properties of these compounds do not simply correlate with the parameters of their honeycomb networks, contrary to proposals raised in the literature. Rather, their complete fermiology and phonon spectrum should be taken into account in order to explain their respective superconducting properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001140080300003 Publication Date 2023-10-17
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; 2023 IF: 3.836
Call Number UA @ admin @ c:irua:201445 Serial 9071
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Author Flammia, L.; Zhang, L.-F.; Covaci, L.; Perali, A.; Milošević, M.V.
Title Superconducting nanoribbon with a constriction : a quantum-confined Josephson junction Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 97 Issue 13 Pages (up) 134514
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Extended defects are known to strongly affect nanoscale superconductors. Here, we report the properties of superconducting nanoribbons with a constriction formed between two adjacent step edges by solving the Bogoliubov-de Gennes equations self-consistently in the regime where quantum confinement is important. Since the quantum resonances of the superconducting gap in the constricted area are different from the rest of the nanoribbon, such constriction forms a quantum-confined S-S'-S Josephson junction, with a broadly tunable performance depending on the length and width of the constriction with respect to the nanoribbon, and possible gating. These findings provide an intriguing approach to further tailor superconducting quantum devices where Josephson effect is of use.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000430161500004 Publication Date 2018-04-17
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 7 Open Access
Notes ; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen), the Special Research Funds of the University of Antwerp (TOPBOF), the Italian MIUR through the PRIN 2015 program (Contract No. 2015C5SEJJ001), the MultiSuper network, and the EU-COST NANOCOHYBRI action CA16218. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:150754UA @ admin @ c:irua:150754 Serial 4980
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Author Nulens, L.; Dausy, H.; Wyszynski, M.J.; Raes, B.; Van Bael, M.J.; Milošević, M.V.; Van de Vondel, J.
Title Metastable states and hidden phase slips in nanobridge SQUIDs Type A1 Journal article
Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 106 Issue 13 Pages (up) 134518-134519
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We fabricated an asymmetric nanoscale SQUID consisting of one nanobridge weak link and one Dayem bridge weak link. The current phase relation of these particular weak links is characterized by multivaluedness and linearity. While the latter is responsible for a particular magnetic field dependence of the critical current (so-called vorticity diamonds), the former enables the possibility of different vorticity states (phase winding numbers) existing at one magnetic field value. In experiments the observed critical current value is stochastic in nature, does not necessarily coincide with the current associated with the lowest energy state and critically depends on the measurement conditions. In this paper, we unravel the origin of the observed metastability as a result of the phase dynamics happening during the freezing process and while sweeping the current. Moreover, we employ special measurement protocols to prepare the desired vorticity state and identify the (hidden) phase slip dynamics ruling the detected state of these nanodevices. In order to gain insights into the dynamics of the condensate and, more specifically the hidden phase slips, we performed time-dependent Ginzburg-Landau simulations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000904657300007 Publication Date 2022-10-31
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 OpenAccess
Notes Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:193393 Serial 7321
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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 101 Issue 14 Pages (up) 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.
Address
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 Shayeganfar, F.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M.
Title Monolayer alkali and transition-metal monoxides : MgO, CaO, MnO, and NiO Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal
Volume 95 Issue 14 Pages (up) 144109
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Two-dimensional crystals with strong interactions between layers has attracted increasing attention in recent years in a variety of fields. In particular, the growth of a single layer of oxide materials (e.g., MgO, CaO, NiO, and MnO) over metallic substrates were found to display different physical properties than their bulk. In this study, we report on the physical properties of a single layer of metallic oxide materials and compare their properties with their bulk and other two-dimensional (2D) crystals. We found that the planar structure of metallic monoxides are unstable whereas the buckled structures are thermodynamically stable. Also, the 2D-MnO and NiO exhibit different magnetic (ferromagnetic) and optical properties than their bulk, whereas band-gap energy and linear stiffness are found to be decreasing from NiO to MgO. Our findings provide insight into oxide thin-film technology applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000399792400001 Publication Date 2017-04-20
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 Times cited 21 Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:152654 Serial 8278
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Author de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M.
Title Electrostrictive behavior of confined water subjected to GPa pressure Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 97 Issue 14 Pages (up) 144111
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Water inside a nanocapillary exhibits unconventional structural and dynamical behavior due to its ordered structure. The confining walls, density, and lateral pressures control profoundly the microscopic structure of trapped water. Here we study the electrostriction of confined water subjected to pressures of the order of GPa for two different setups: (i) a graphene nanochannel containing a constant number of water molecules independent of the height of the channel, (ii) an open nanochannel where water molecules can be exchanged with those in a reservoir. For the former case, a square-rhombic structure of confined water is formed when the height of the channel is d = 6.5 angstrom having a density of rho = 1.42 g cm(-3). By increasing the height of the channel, a transition from a flat to a buckled state occurs, whereas the density rapidly decreases and reaches the bulk density for d congruent to 8.5 angstrom. When a perpendicular electric field is applied, the water structure and the lateral pressure change. For strong electric fields (similar to 1 V/angstrom), the square-rhombic structure is destroyed. For an open setup, a solid phase of confined water consisting of an imperfect square-rhombic structure is formed. By applying a perpendicular field, the density and phase of confined water change. However, the density and pressure inside the channel decrease as compared to the first setup. Our study is closely related to recent experiments on confined water, and it reveals the sensitivity of the microscopic structure of confined water to the size of the channel, the external electric field, and the experimental setup.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000430809300002 Publication Date 2018-04-25
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 6 Open Access
Notes ; This work was supported by the Fund for Scientific Research-Flanders (FWO-Vl) and the Methusalem programe. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:151574UA @ admin @ c:irua:151574 Serial 5023
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Author Scuracchio, P.; Michel, K.H.; Peeters, F.M.
Title Phonon hydrodynamics, thermal conductivity, and second sound in two-dimensional crystals Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 14 Pages (up) 144303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from our previous work in which we obtained a system of coupled integrodifferential equations for acoustic sound waves and phonon density fluctuations in two-dimensional (2D) crystals, we derive here the corresponding hydrodynamic equations, and we study their consequences as a function of temperature and frequency. These phenomena encompass propagation and damping of acoustic sound waves, diffusive heat conduction, second sound, and Poiseuille heat flow, all of which are characterized by specific transport coefficients. We calculate these coefficients by means of correlation functions without using the concept of relaxation time. Numerical calculations are performed as well in order to show the temperature dependence of the transport coefficients and of the thermal conductivity. As a consequence of thermal tension, mechanical and thermal phenomena are coupled. We calculate the dynamic susceptibilities for displacement and temperature fluctuations and study their resonances. Due to the thermomechanical coupling, the thermal resonances such as the Landau-Placzek peak and the second-sound doublet appear in the displacement susceptibility, and conversely the acoustic sound wave doublet appears in the temperature susceptibility, Our analytical results not only apply to graphene, but they are also valid for arbitrary 2D crystals with hexagonal symmetry, such as 2D hexagonal boron nitride, 2H-transition-metal dichalcogenides, and oxides.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464717300006 Publication Date 2019-04-10
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 13 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:159346 Serial 5225
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Author Torre, I.; de Castro, L.V.; Van Duppen, B.; Barcons Ruiz, D.; Peeters, F.M.; Koppens, F.H.L.; Polini, M.
Title Acoustic plasmons at the crossover between the collisionless and hydrodynamic regimes in two-dimensional electron liquids Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 14 Pages (up) 144307
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Hydrodynamic flow in two-dimensional electron systems has so far been probed only by dc transport and scanning gate microscopy measurements. In this work we discuss theoretically signatures of the hydrodynamic regime in near-field optical microscopy. We analyze the dispersion of acoustic plasmon modes in two-dimensional electron liquids using a nonlocal conductivity that takes into account the effects of (momentumconserving) electron-electron collisions, (momentum-relaxing) electron-phonon and electron-impurity collisions, and many-body interactions beyond the celebrated random phase approximation. We derive the dispersion and, most importantly, the damping of acoustic plasmon modes and their coupling to a near-field probe, identifying key experimental signatures of the crossover between collisionless and hydrodynamic regimes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000465160000003 Publication Date 2019-04-18
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 3.836 Times cited 10 Open Access
Notes ; This work has been sponsored by the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 785219 “Graphene Core2” and via the European Research Council (ERC) Grant Agreement No. 786285. B.V.D. is supported by a post-doctoral fellowship of the Flemish Science Foundation (FWO-Vl). F.H.L.K. acknowledges financial support from the Spanish Ministry of Economy and Competitiveness, through the “ Severo Ochoa” Programme for Centres of Excellence in R&D (SEV-2015-0522), support by Fundacio Cellex Barcelona, Generalitat de Catalunya through the CERCA program, and the Mineco grant Plan Nacional (FIS2016-81044-P) and the Agency for Management of University and Research Grants (AGAUR) 2017 SGR 1656. F.M.P. and L.V.d.C. were supported by the Methusalem Program of the Flemish Government. We thank Niels Hesp and Hanan Hertzig Sheinfux for useful discussions. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:159333 Serial 5193
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Author Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V.
Title Effects of spatially engineered Dzyaloshinskii-Moriya interaction in ferromagnetic films Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 95 Issue 95 Pages (up) 144401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Dzyaloshinskii-Moriya interaction (DMI) is a chiral interaction that favors formation of domain walls. Recent experiments and ab initio calculations show that there are multiple ways to modify the strength of the interfacially induced DMI in thin ferromagnetic films with perpendicular magnetic anisotropy. In this paper we reveal theoretically the effects of spatially varied DMI on the magnetic state in thin films. In such heterochiral 2D structures we report several emergent phenomena, ranging from the equilibrium spin canting at the interface between regions with different DMI, over particularly strong confinement of domain walls and skyrmions within high-DMI tracks, to advanced applications such as domain tailoring nearly at will, design of magnonic waveguides, and much improved skyrmion racetrack memory.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000399382100003 Publication Date 2017-04-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 60 Open Access
Notes Fonds Wetenschappelijk Onderzoek, G098917N ; Approved Most recent IF: 3.836
Call Number CMT @ cmt @ c:irua:141917 Serial 4534
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Author Bekaert, J.; Vercauteren, S.; Aperis, A.; Komendová, L.; Prozorov, R.; Partoens, B.; Milošević, M.V.
Title Anisotropic type-I superconductivity and anomalous superfluid density in OsB2 Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages (up) 144506
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a microscopic study of superconductivity in OsB2 , and discuss the origin and characteristic length

scales of the superconducting state. From first-principles we show that OsB2 is characterized by three different

Fermi sheets, and we prove that this fermiology complies with recent quantum-oscillation experiments. Using the

found microscopic properties, and experimental data from the literature, we employ Ginzburg-Landau relations

to reveal that OsB2 is a distinctly type-I superconductor with a very low Ginzburg-Landau parameter κ—a rare

property among compound materials. We show that the found coherence length and penetration depth corroborate

the measured thermodynamic critical field. Moreover, our calculation of the superconducting gap structure using

anisotropic Eliashberg theory and ab initio calculated electron-phonon interaction as input reveals a single but

anisotropic gap. The calculated gap spectrum is shown to give an excellent account for the unconventional

behavior of the superfluid density of OsB2 measured in experiments as a function of temperature. This reveals

that gap anisotropy can explain such behavior, observed in several compounds, which was previously attributed

solely to a two-gap nature of superconductivity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000385622500009 Publication Date 2016-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 19 Open Access
Notes Fonds Wetenschappelijk Onderzoek; European Cooperation in Science and Technology, MP1201 ; Vetenskapsrådet; Approved Most recent IF: 3.836
Call Number CMT @ cmt @ c:irua:139020 Serial 4338
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Author Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D.
Title Multicomponent screening and superfluidity in gapped electron-hole double bilayer graphene with realistic bands Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 14 Pages (up) 144517
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superfluidity has recently been reported in double electron-hole bilayer graphene. The multiband nature of the bilayers is important because of the very small band gaps between conduction and valence bands. The long-range nature of the superfluid pairing interaction means that screening must be fully taken into account. We have carried out a systematic mean-field investigation that includes (i) contributions to screening from both intraband and interband excitations, (ii) the low-energy band structure of bilayer graphene with its small band gap and flattened Mexican-hat-like low-energy bands, (iii) the large density of states at the bottom of the bands, (iv) electron-hole pairing in the multibands, and (v) electron-hole pair transfers between the conduction and valence band condensates. We find that the superfluidity strongly modifies the intraband contributions to the screening, but that the interband contributions are unaffected. Unexpectedly, a net effect of the screening is to suppress Josephson-like pair transfers and to confine the superfluid pairing entirely to the conduction-band condensate even for very small band gaps, making the system behave similarly to a one-band superfluid.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000465160000004 Publication Date 2019-04-18
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 3.836 Times cited 13 Open Access
Notes ; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl) and the Methusalem Foundation. We thank Mohammad Zarenia and Alfredo VargasParedes for useful discussions. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:159332 Serial 5221
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Author Takatsu, H.; Hernandez, O.; Yoshimune, W.; Prestipino, C.; Yamamoto, T.; Tassel, C.; Kobayashi, Y.; Batuk, D.; Shibata, Y.; Abakumov, A.M.; Brown, C.M.; Kageyama, H.
Title Cubic lead perovskite PbMoO3 with anomalous metallic behavior Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal
Volume 95 Issue 15 Pages (up) 155105
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A previously unreported Pb-based perovskite PbMoO3 is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the Pm3m cubic structure at room temperature, making it distinct from typical Pb-based perovskite oxides with a structural distortion. PbMoO3 exhibits a metallic behavior down to 0.1 K with an unusual T-sublinear dependence of the electrical resistivity. Moreover, a large specific heat is observed at low temperatures accompanied by a peak in C-P/T-3 around 10 K, in marked contrast to the isostructural metallic system SrMoO3. These transport and thermal properties for PbMoO3, taking into account anomalously large Pb atomic displacements detected through diffraction experiments, are attributed to a low-energy vibrational mode, associated with incoherent off-centering of lone-pair Pb2+ cations. We discuss the unusual behavior of the electrical resistivity in terms of a polaronlike conduction, mediated by the strong coupling between conduction electrons and optical phonons of the local low-energy vibrational mode.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000440605700001 Publication Date 2017-04-04
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 Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:167288 Serial 7743
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Author De Beule, C.; Ziani, N.T.; Zarenia, M.; Partoens, B.; Trauzettel, B.
Title Correlation and current anomalies in helical quantum dots Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages (up) 155111
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We theoretically investigate the ground-state properties of a quantum dot defined on the surface of a strong three-dimensional time-reversal invariant topological insulator. Confinement is realized by ferromagnetic barriers and Coulomb interaction is treated numerically for up to seven electrons in the dot. Experimentally relevant intermediate interaction strengths are considered. The topological origin of the dot has several consequences: (i) spin polarization increases and the ground state exhibits quantum phase transitions at specific angular momenta as a function of interaction strength, (ii) the onset of Wigner correlations takes place mainly in one spin channel, and (iii) the ground state is characterized by a robust persistent current that changes sign as a function of the distance from the center of the dot.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000385242200001 Publication Date 2016-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 3 Open Access
Notes ; We thank F. Cavaliere, F. Crepin, C. Felser, and B. Yan for interesting discussions, and S. Curreli for performing the finite-element calculation of the magnetic field in COMSOL. C.D.B. and M.Z. are supported by the Flemish Research Foundation (FWO). N.T.Z. and B.T. acknowledge financial support by the DFG (SPP1666 and SFB1170 “ToCoTronics”), the Helmholtz Foundation (VITI), and the ENB Graduate School on “Topological Insulators.” ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:137234 Serial 4351
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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 101 Issue 15 Pages (up) 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.
Address
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 Shields, P.A.; Nicholas, R.J.; Peeters, F.M.; Beaumont, B.; Gibart, P.
Title Free-carrier effects in gallium nitride epilayers: Valence-band dispersion Type A1 Journal article
Year 2001 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 64 Issue 8 Pages (up) 155303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The dispersion of the A-valence-band in GaN has been deduced from the observation of high-index magnetoexcitonic states in polarized interband magnetoreflectivity and is found to be strongly nonparabolic with a mass in the range 1.2-1.8m(e). It matches the theory of Kim et al. [Phys. Rev. B 56, 7363 (1997)] extremely well, which also gives a strong k-dependent A-valence-band mass. A strong phonon coupling leads to quenching of the observed transitions at about an LO-phonon energy above the band gap and a strong nonparabolicity. The valence band was deduced from subtracting from the reduced dispersion the electron contribution with a model that includes a full treatment of the electron-phonon interaction.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000170623000005 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 13 Open Access
Notes Approved Most recent IF: 3.836; 2001 IF: NA
Call Number UA @ lucian @ c:irua:37288 Serial 1274
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Author Aierken, Y.; Leenaerts, O.; Peeters, F.M.
Title Intrinsic magnetism in penta-hexa-graphene: A first-principles study Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 15 Pages (up) 155410
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recently, several monolayer carbon allotropes have been proposed. The magnetic properties of these metal-free materials are investigated, and we explore a special type of all carbon system having an intrinsic magnetic ground state. The structure is composed of mixing pentagonal and hexagonal rings of carbon atoms, such that the unit cell consists of eleven atoms, where two C atoms each have an unpaired electron each with a local magnetic moment. The antiferromagnetic (AFM) state has a lower energy than the ferromagnetic (FM) one. However, a strain-driven transition to the FM ground state is possible. The application of strain not only lowers the energy of the FM state but it also induces an energy barrier of about 13 meV/(magnetic atom) to protect the FM state from excitation. Our findings based on first-principles calculations will motivate other works on similar metal-free magnetic monolayer materials and will have an impact on their possible applications in spintronic devices.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000385623700006 Publication Date 2016-10-10
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 13 Open Access
Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:144641 Serial 4665
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Author Houben, K.; Couet, S.; Trekels, M.; Menendez, E.; Peissker, T.; Seo, J.W.; Hu, M.Y.; Zhao, J.Y.; Alp, E.E.; Roelants, S.; Partoens, B.; Milošević, M.V.; Peeters, F.M.; Bessas, D.; Brown, S.A.; Vantomme, A.; Temst, K.; Van Bael, M.J.
Title Lattice dynamics in Sn nanoislands and cluster-assembled films Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 95 Issue 15 Pages (up) 155413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract To unravel the effects of phonon confinement, the influence of size and morphology on the atomic vibrations is investigated in Sn nanoislands and cluster-assembled films. Nuclear resonant inelastic x-ray scattering is used to probe the phonon densities of states of the Sn nanostructures which show significant broadening of the features compared to bulk phonon behavior. Supported by ab initio calculations, the broadening is attributed to phonon scattering and can be described within the damped harmonic oscillator model. Contrary to the expectations based on previous research, the appearance of high-energy modes above the cutoff energy is not observed. From the thermodynamic properties extracted from the phonon densities of states, it was found that grain boundary Sn atoms are bound by weaker forces than bulk Sn atoms.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000401762400008 Publication Date 2017-04-11
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 5 Open Access
Notes ; This work was supported by the Research Foundation-Flanders (FWO) and the Concerted Research Action (GOA/14/007). The authors acknowledge Hercules stichting (Projects No. AKUL/13/19 and No. AKUL/13/25). K.H. and S.C. thank the FWO for financial support. T.P. acknowledges the IWT for financial support. S.R., M.V.M., and B.P. acknowledge TOPBOF funding of the University of Antwerp Research Fund. J.W.S. acknowledges Hercules Stichting (Project No. AKUL/13/19). The authors want to thank R. Lieten for help with the XRD measurements and T. Picot for fruitful discussions. The authors gratefully acknowledge R. Ruffer and A. I. Chumakov for fruitful discussions and the European Synchrotron Radiation Facility for the measurement of the SnO<INF>2</INF> powder at the Nuclear Resonance beamline (ID-18). This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:144305 Serial 4667
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