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Author Xu, W.; Peeters, F.M.; Devreese, J.T.; Leadley, D.R.; Nicholas, R.J.
Title Destruction of magnetophonon resonance in high magnetic fields from impurity and phonon scattering in heterojunctions Type A1 Journal article
Year 1996 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics Abbreviated Journal Int J Mod Phys B
Volume 10 Issue Pages 169-202
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Singapore Editor
Language Wos A1996TR56200002 Publication Date 2004-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0217-9792;1793-6578; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 0.937 Times cited 11 Open Access
Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
Call Number UA @ lucian @ c:irua:15803 Serial 664
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Author Marmorkos, I.K.; Matulis, A.; Peeters, F.M.
Title Vortex structure around a magnetic dot in planar superconductors Type A1 Journal article
Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 53 Issue Pages 2677-2685
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1996TV39300081 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 (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 58 Open Access
Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #
Call Number UA @ lucian @ c:irua:15804 Serial 3893
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Author Peeters, F.M.; Schweigert, V.A.
Title Two electron quantum disks Type A1 Journal article
Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 53 Issue Pages 1468-1474
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1996TU29000081 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 (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 204 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:15805 Serial 3780
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Author Peeters, F.M.; Matulis, A.; Ibrahim, I.S.
Title Two-dimensional electrons in modulated magnetic fields Type A1 Journal article
Year 1996 Publication Physica: B : condensed matter Abbreviated Journal Physica B
Volume 227 Issue Pages 131-137
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1996VR71500035 Publication Date 2003-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4526; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 1.319 Times cited 17 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:15811 Serial 3774
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Author Kong, X.; Li, L.; Peeters, F.M.
Title Graphene-based heterostructures with moire superlattice that preserve the Dirac cone: a first-principles study Type A1 Journal article
Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 31 Issue 25 Pages 255302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In van der Waals heterostructures consisting of graphene and a substrate, lattice mismatch often leads to a moire pattern with a huge supercell, preventing its treatment within first- principles calculations. Previous theoretical works considered mostly simple stacking models such as AB, AA with straining the lattice of graphene to match that of the substrate. Here, we propose a moire superlattice build from graphene and porous graphene or graphyne like monolayers, having a lower interlayer binding energy, needing little strain in order to match the lattices. In contrast to the results from the simple stacking models, the present ab initio calculations for the moire superlattices show different properties in lattice structure, energy, and band structures. For example, the Dirac cone at the K point is preserved and a linear energy dispersion near the Fermi level is obtained.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464184300001 Publication Date 2019-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 4 Open Access
Notes ; This work is supported by the Collaborative Innovation Center of Quantum Matter, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS-2D-TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ; Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:159314 Serial 5215
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Author Rezvani, S.J.; Perali, A.; Fretto, M.; De Leo, N.; Flammia, L.; Milošević, M.; Nannarone, S.; Pinto, N.
Title Substrate-induced proximity effect in superconducting niobium nanofilms Type A1 Journal article
Year 2018 Publication Condensed Matter Abbreviated Journal
Volume 4 Issue 1 Pages 4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Structural and superconducting properties of high-quality niobium nanofilms with different thicknesses are investigated on silicon oxide (SiO2) and sapphire substrates. The role played by the different substrates and the superconducting properties of the Nb films are discussed based on the defectivity of the films and on the presence of an interfacial oxide layer between the Nb film and the substrate. The X-ray absorption spectroscopy is employed to uncover the structure of the interfacial layer. We show that this interfacial layer leads to a strong proximity effect, especially in films deposited on a SiO2 substrate, altering the superconducting properties of the Nb films. Our results establish that the critical temperature is determined by an interplay between quantum-size effects, due to the reduction of the Nb film thicknesses, and proximity effects. The detailed investigation here provides reference characterizations and has direct and important implications for the fabrication of superconducting devices based on Nb nanofilms.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464289300001 Publication Date 2018-12-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2410-3896 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes ; This project was financially supported by University of Camerino, FAR project CESEMN. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:159463 Serial 5233
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Author Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rodriguez, J.A.; Milošević, M.V.; Peeters, F.M.
Title Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure : an ab initio study Type A1 Journal article
Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 31 Issue 26 Pages 265502
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The bandgap behavior of 2D-GaAs and graphene have been investigated with van der Waals heterostructured into a yet unexplored graphene/GaAs bilayer, under both uniaxial stress along c axis and different planar strain distributions. The 2D-GaAs bandgap nature changes from Gamma-K indirect in isolated monolayer to Gamma-Gamma direct in graphene/GaAs bilayer. In the latter, graphene exhibits a bandgap of 5 meV. The uniaxial stress strongly affects the graphene electronic bandgap, while symmetric in-plane strain does not open the bandgap in graphene. Nevertheless, it induces remarkable changes on the GaAs bandgap-width around the Fermi level. However, when applying asymmetric in-plane strain to graphene/GaAs, the graphene sublattice symmetry is broken, and the graphene bandgap is open at the Fermi level to a maximum width of 814 meV. This value is much higher than that reported for just graphene under asymmetric strain. The Gamma-Gamma direct bandgap of GaAs remains unchanged in graphene/ GaAs under different types of applied strain. The analyses of phonon dispersion and the elastic constants yield the dynamical and mechanical stability of the graphene/GaAs system, respectively. The calculated mechanical properties for bilayer heterostructure are better than those of their constituent monolayers. This finding, together with the tunable graphene bandgap not only by the strength but also by the direction of the strain, enhance the potential for strain engineering of ultrathin group-III-V electronic devices hybridized by graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000465887100001 Publication Date 2019-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 6 Open Access
Notes ; This work has been carried out with the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216; and the partial support of DGAPA-UNAM project IN114817-3. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; DGTIC-UNAM under project LANCAD-UNAM-DGTIC-150, and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:160216 Serial 5236
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Author Wang, J.; Shin, Y.; Gauquelin, N.; Yang, Y.; Lee, C.; Jannis, D.; Verbeeck, J.; Rondinelli, J.M.; May, S.J.
Title Physical properties of epitaxial SrMnO2.5−δFγoxyfluoride films Type A1 Journal article
Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 31 Issue 36 Pages 365602
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Recently, topotactic fluorination has become an alternative way of doping epitaxial perovskite oxides through anion substitution to engineer their electronic properties instead of the more commonly used cation substitution. In this work, epitaxial oxyfluoride SrMnO2.5−δ F γ films were synthesized via topotactic fluorination of SrMnO2.5 films using polytetrafluoroethylene as the fluorine source. Oxidized SrMnO3 films were also prepared for comparison with the fluorinated samples. The F content, probed by x-ray photoemission spectroscopy, was systematically controlled by adjusting fluorination conditions. Electronic transport measurements reveal that increased F content (up to γ  =  0.14) systematically increases the electrical resistivity, despite the nominal electron-doping induced by F substitution for O in these films. In contrast, oxidized SrMnO3 exhibits a decreased resistivity and conduction activation energy. A blue-shift of optical absorption features occurs with increasing F content. Density functional theory calculations indicate that F acts as a scattering center for electronic transport, controls the observed weak ferromagnetic behavior of the films, and reduces the inter-band optical transitions in the manganite films. These results stand in contrast to bulk electron-doped La1−x Ce x MnO3, illustrating how aliovalent anionic substitutions can yield physical behavior distinct from A-site substituted perovskites with the same nominal B-site oxidation states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472232000002 Publication Date 2019-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 5 Open Access
Notes Work at Drexel was supported by the National Science Foundation (NSF), grant number CMMI-1562223. Thin film synthesis utilized deposition instrumentation acquired through an Army Research Office DURIP grant (W911NF-14-1-0493). Y.S and J.M.R. were supported by NSF (Grant No. DMR-1454688). Calculations were performed using the QUEST HPC Facility at Northwestern, the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by NSF Grant No. ACI-1053575, and the Center for Nanoscale Materials (Carbon Cluster). Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. J.V. and N. G. acknowledge funding from a GOA project “Solarpaint” of the University of Antwerp. D.J. acknowledges funding from FWO project G093417N from the Flemish fund for scientific research. Approved Most recent IF: 2.649
Call Number EMAT @ emat @UA @ admin @ c:irua:161174 Serial 5293
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Author Nikolaev, A.V.; Michel, K.H.
Title Microscopic theory of the rhombohedral phase and transition to the monoclinic phase of solid C70 Type A1 Journal article
Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 54 Issue 18 Pages 12733-12743
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from a model of microscopic interactions between C-70 molecules, we have developed a theory which describes the orientational dynamics and its coupling to lattice displacements in the rhombohedral phase of C-70 fullerite. The Landau free energy is calculated. We obtain a first-order phase transition to a monoclinic structure with the space group P2(1)/m. The transition is driven by the condensation of orientational quadrupoles at the F point of the Brillouin zone of the rhombohedral lattice. We find no evidence that the monoclinic structure is connected with the freezing in of orientations around the fivefold molecular axis. We calculate the lattice strains that are associated with the transition to the monoclinic structure. The theory is compared with a range of experimental data on the phase transition.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1996VT68200028 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 (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 5 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:16357 Serial 2034
Permanent link to this record
 

 
Author Leenaerts, O.; Partoens, B.; Peeters, F.M.; Volodin, A.; van Haesendonck, C.
Title The work function of few-layer graphene Type A1 Journal article
Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 29 Issue 3 Pages 035003
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A theoretical and experimental study of the work function of few-layer graphene is reported. The influence of the number of layers on the work function is investigated in the presence of a substrate, a molecular dipole layer, and combinations of the two. The work function of few-layer graphene is almost independent of the number of layers with only a difference between monolayer and multilayer graphene of about 60 meV. In the presence of a charge-donating substrate the charge distribution is found to decay exponentially away from the substrate and this is directly reflected in the work function of few-layer graphene. A dipole layer changes the work function only when placed in between the substrate and few-layer graphene through a change of the charge transfer between the two.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000425250600002 Publication Date 2016-11-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 61 Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:164938 Serial 8760
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Author Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rivera-Julio, J.; Espejo, C.; Milošević, M.V.; Peeters, F.M.
Title Two-dimensional hydrogenated buckled gallium arsenide: an ab initio study Type A1 Journal article
Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 32 Issue 14 Pages 145502
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract First-principles calculations have been carried out to investigate the stability, structural and electronic properties of two-dimensional (2D) hydrogenated GaAs with three possible geometries: chair, zigzag-line and boat configurations. The effect of van der Waals interactions on 2D H-GaAs systems has also been studied. These configurations were found to be energetic and dynamic stable, as well as having a semiconducting character. Although 2D GaAs adsorbed with H tends to form a zigzag-line configuration, the energy differences between chair, zigzag-line and boat are very small which implies the metastability of the system. Chair and boat configurations display a – direct bandgap nature, while pristine 2D-GaAs and zigzag-line are indirect semiconductors. The bandgap sizes of all configurations are also hydrogen dependent, and wider than that of pristine 2D-GaAs with both PBE and HSE functionals. Even though DFT-vdW interactions increase the adsorption energies and reduce the equilibrium distances of H-GaAs systems, it presents, qualitatively, the same physical results on the stability and electronic properties of our studied systems with PBE functional. According to our results, 2D buckled gallium arsenide is a good candidate to be synthesized by hydrogen surface passivation as its group III-V partners 2D buckled gallium nitride and boron nitride. The hydrogenation of 2D-GaAs tunes the bandgap of pristine 2D-GaAs, which makes it a potential candidate for optoelectronic applications in the blue and violet ranges of the visible electromagnetic spectrum.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000507894400001 Publication Date 2019-12-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record
Impact Factor 2.7 Times cited Open Access
Notes ; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; Approved Most recent IF: 2.7; 2020 IF: 2.649
Call Number UA @ admin @ c:irua:165644 Serial 6330
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Author Lavor, I.R.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Macedo, R.; Peeters, F.M.
Title Magnetic field induced vortices in graphene quantum dots Type A1 Journal article
Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 32 Issue 15 Pages 155501
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The energy spectrum and local current patterns in graphene quantum dots (QD) are investigated for different geometries in the presence of an external perpendicular magnetic field. Our results demonstrate that, for specific geometries and edge configurations, the QD exhibits vortex and anti-vortex patterns in the local current density, in close analogy to the vortex patterns observed in the probability density current of semiconductor QD, as well as in the order parameter of mesoscopic superconductors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000520149200001 Publication Date 2019-12-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited 5 Open Access
Notes ; This work was financially supported by the CAPES foundation and CNPq (Science Without Borders, PQ and FUNCAP/PRONEX programs). ; Approved Most recent IF: 2.7; 2020 IF: 2.649
Call Number UA @ admin @ c:irua:167670 Serial 6558
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Author Conti, S.; Neilson, D.; Peeters, F.M.; Perali, A.
Title Transition metal dichalcogenides as strategy for high temperature electron-hole superfluidity Type A1 Journal article
Year 2020 Publication Condensed Matter Abbreviated Journal
Volume 5 Issue 1 Pages 22-12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Condensation of spatially indirect excitons, with the electrons and holes confined in two separate layers, has recently been observed in two different double layer heterostructures. High transition temperatures were reported in a double Transition Metal Dichalcogenide (TMD) monolayer system. We briefly review electron-hole double layer systems that have been proposed as candidates for this interesting phenomenon. We investigate the double TMD system WSe2/hBN/MoSe2, using a mean-field approach that includes multiband effects due to the spin-orbit coupling and self-consistent screening of the electron-hole Coulomb interaction. We demonstrate that the transition temperature observed in the double TMD monolayers, which is remarkably high relative to the other systems, is the result of (i) the large electron and hole effective masses in TMDs, (ii) the large TMD band gaps, and (iii) the presence of multiple superfluid condensates in the TMD system. The net effect is that the superfluidity is strong across a wide range of densities, which leads to high transition temperatures that extend as high as TBKT=150 K.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000523711200017 Publication Date 2020-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2410-3896 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 7 Open Access
Notes ; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl), the Methusalem Foundation and the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:168658 Serial 6636
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Author Hiroi, Z.; Amelinckx, S.; Van Tendeloo, G.; Kobayashi, N.
Title Microscopic origin of dimerization in the CuO2 chains in Sr14Cu24O41 Type A1 Journal article
Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 54 Issue 22 Pages 849-855
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1996VX71800045 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 (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 33 Open Access
Notes Approved CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 #
Call Number UA @ lucian @ c:irua:16871 Serial 2030
Permanent link to this record
 

 
Author Bafekry, A.; Akgenc, B.; Ghergherehchi, M.; Peeters, F.M.
Title Strain and electric field tuning of semi-metallic character WCrCO₂ MXenes with dual narrow band gap Type A1 Journal article
Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 32 Issue 35 Pages 355504-355508
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Motivated by the recent successful synthesis of double-M carbides, we investigate structural and electronic properties of WCrC and WCrCO2 monolayers and the effects of biaxial and out-of-plane strain and electric field using density functional theory. WCrC and WCrCO2 monolayers are found to be dynamically stable. WCrC is metallic and WCrCO2 display semi-metallic character with narrow band gap, which can be controlled by strain engineering and electric field. WCrCO2 monolayer exhibits a dual band gap which is preserved in the presence of an electric field. The band gap of WCrCO2 monolayer increases under uniaxial strain while it becomes metallic under tensile strain, resulting in an exotic 2D double semi-metallic behavior. Our results demonstrate that WCrCO2 is a new platform for the study of novel physical properties in two-dimensional Dirac materials and which may provide new opportunities to realize high-speed low-dissipation devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000539375800001 Publication Date 2020-04-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited 37 Open Access
Notes ; This work was supported by the National Research Foundation of Korea(NRF) Grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). In addition, this work was supported by the Flemish Science Foundation (FW0-Vl). ; Approved Most recent IF: 2.7; 2020 IF: 2.649
Call Number UA @ admin @ c:irua:169756 Serial 6616
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Author Lebedev, N.; Stehno, M.; Rana, A.; Gauquelin, N.; Verbeeck, J.; Brinkman, A.; Aarts, J.
Title Inhomogeneous superconductivity and quasilinear magnetoresistance at amorphous LaTiO₃/SrTiO₃ interfaces Type A1 Journal article
Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 33 Issue 5 Pages 055001
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, transmission electron microscopy images revealed that the samples tend to amorphize. Still, we observe that the structures are conducting, and some of them exhibit high conductance and/or superconductivity. We established that conductivity arises mainly on the STO side of the interface, and shows all the signs of the two-dimensional electron gas usually observed at interfaces between STO and LTO or LaAlO3, including the presence of two electron bands and tunability with a gate voltage. Analysis of magnetoresistance (MR) and superconductivity indicates the presence of spatial fluctuations of the electronic properties in our samples. That can explain the observed quasilinear out-of-plane MR, as well as various features of the in-plane MR and the observed superconductivity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000588209300001 Publication Date 2020-10-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited 1 Open Access OpenAccess
Notes ; NL and JA gratefully acknowledge the financial support of the research program DESCO, which is financed by the Netherlands Organisation for Scientific Research (NWO). The authors thank J Jobst, S Smink, K Lahabi and G Koster for useful discussion. ; Approved Most recent IF: 2.7; 2020 IF: 2.649
Call Number UA @ admin @ c:irua:173679 Serial 6545
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Author Lavor, I.R.; da Costa, D.R.; Chaves, A.; Sena, S.H.R.; Farias, G.A.; Van Duppen, B.; Peeters, F.M.
Title Effect of zitterbewegung on the propagation of wave packets in ABC-stacked multilayer graphene : an analytical and computational approach Type A1 Journal article
Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 33 Issue 9 Pages 095503
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The time evolution of a low-energy two-dimensional Gaussian wave packet in ABC-stacked n-layer graphene (ABC-NLG) is investigated. Expectation values of the position (x, y) of center-of-mass and the total probability densities of the wave packet are calculated analytically using the Green's function method. These results are confirmed using an alternative numerical method based on the split-operator technique within the Dirac approach for ABC-NLG, which additionally allows to include external fields and potentials. The main features of the zitterbewegung (trembling motion) of wave packets in graphene are demonstrated and are found to depend not only on the wave packet width and initial pseudospin polarization, but also on the number of layers. Moreover, the analytical and numerical methods proposed here allow to investigate wave packet dynamics in graphene systems with an arbitrary number of layers and arbitrary potential landscapes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000599465000001 Publication Date 2020-11-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 3 Open Access OpenAccess
Notes ; Discussions with D J P de Sousa and J M Pereira Jr are gratefully acknowledged. This work was financially supported by the Brazilian Council for Research (CNPq), under the PQ and PRONEX/FUNCAP programs, and by CAPES. One of us (BVD) is supported by the FWO-Vl. DRC is supported by CNPq Grant Nos. 310019/2018-4 and 437067/2018-1. ; Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:174953 Serial 6687
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Author González-García, A.; López-Pérez, W.; González-Hernández, R.; Bacaksiz, C.; Šabani, D.; Milošević, M.V.; Peeters, F.M.
Title Transition-metal adatoms on 2D-GaAs: a route to chiral magnetic 2D materials by design Type A1 Journal article
Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 33 Issue 14 Pages 145803
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using relativistic density-functional calculations, we examine the magneto-crystalline anisotropy and exchange properties of transition-metal atoms adsorbed on 2D-GaAs. We show that single Mn and Mo atom (Co and Os) strongly bind on 2D-GaAs, and induce local out-of-plane (in-plane) magnetic anisotropy. When a pair of TM atoms is adsorbed on 2D-GaAs in a close range from each other, magnetisation properties change (become tunable) with respect to concentrations and ordering of the adatoms. In all cases, we reveal presence of strong Dzyaloshinskii–Moriya interaction. These results indicate novel pathways towards two-dimensional chiral magnetic materials by design, tailored for desired applications in magneto-electronics.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000626453600001 Publication Date 2021-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record
Impact Factor 2.649 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.649
Call Number CMT @ cmt @c:irua:177483 Serial 6755
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Author Akgenc, B.; Sarikurt, S.; Yagmurcukardes, M.; Ersan, F.
Title Aluminum and lithium sulfur batteries : a review of recent progress and future directions Type A1 Journal article
Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 33 Issue 25 Pages 253002
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Advanced materials with various micro-/nanostructures have attracted plenty of attention for decades in energy storage devices such as rechargeable batteries (ion- or sulfur based batteries) and supercapacitors. To improve the electrochemical performance of batteries, it is uttermost important to develop advanced electrode materials. Moreover, the cathode material is also important that it restricts the efficiency and practical application of aluminum-ion batteries. Among the potential cathode materials, sulfur has become an important candidate material for aluminum-ion batteries cause of its considerable specific capacity. Two-dimensional materials are currently potential candidates as electrodes from lab-scale experiments to possible pragmatic theoretical studies. In this review, the fundamental principles, historical progress, latest developments, and major problems in Li-S and Al-S batteries are reviewed. Finally, future directions in terms of the experimental and theoretical applications have prospected.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000655281200001 Publication Date 2021-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:179034 Serial 6971
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Author Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D.
Title Effect of mismatched electron-hole effective masses on superfluidity in double layer solid-state systems Type A1 Journal article
Year 2021 Publication Condensed Matter Abbreviated Journal
Volume 6 Issue 2 Pages 14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superfluidity has been predicted and now observed in a number of different electron-hole double-layer semiconductor heterostructures. In some of the heterostructures, such as GaAs and Ge-Si electron-hole double quantum wells, there is a strong mismatch between the electron and hole effective masses. We systematically investigate the sensitivity to unequal masses of the superfluid properties and the self-consistent screening of the electron-hole pairing interaction. We find that the superfluid properties are insensitive to mass imbalance in the low density BEC regime of strongly-coupled boson-like electron-hole pairs. At higher densities, in the BEC-BCS crossover regime of fermionic pairs, we find that mass imbalance between electrons and holes weakens the superfluidity and expands the density range for the BEC-BCS crossover regime. This permits screening to kill the superfluid at a lower density than for equal masses.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000665155800001 Publication Date 2021-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2410-3896 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:179635 Serial 6982
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Author Sabzalipour, A.; Mir, M.; Zarenia, M.; Partoens, B.
Title Charge transport in magnetic topological ultra-thin films : the effect of structural inversion asymmetry Type A1 Journal article
Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 33 Issue 32 Pages 325702
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the effect of structural inversion asymmetry, induced by the presence of substrates or by external electric fields, on charge transport in magnetic topological ultra-thin films. We consider general orientations of the magnetic impurities. Our results are based on the Boltzmann formalism along with a modified relaxation time scheme. We show that the structural inversion asymmetry enhances the charge transport anisotropy induced by the magnetic impurities and when only one conduction subband contributes to the charge transport a dissipationless charge current is accessible. We demonstrate how a substrate or gate voltage can control the effect of the magnetic impurities on the charge transport, and how this depends on the orientation of the magnetic impurities.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000666698000001 Publication Date 2021-05-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:179647 Serial 6974
Permanent link to this record
 

 
Author Barbiellini, B.; Kuriplach, J.; Saniz, R.
Title Study of rechargeable batteries using advanced spectroscopic and computational techniques Type Editorial
Year 2021 Publication Condensed Matter Abbreviated Journal
Volume 6 Issue 3 Pages 26
Keywords Editorial; Electron microscopy for materials research (EMAT)
Abstract Improving the efficiency and longevity of energy storage systems based on Li- and Na-ion rechargeable batteries presents a major challenge. The main problems are essentially capacity loss and limited cyclability. These effects are due to a hierarchy of factors spanning various length and time scales, interconnected in a complex manner. As a consequence, and in spite of several decades of research, a proper understanding of the ageing process has remained somewhat elusive. In recent years, however, combinations of advanced spectroscopy techniques and first-principles simulations have been applied with success to tackle this problem. In this Special Issue, we are pleased to present a selection of articles that, by precisely applying these methods, unravel key aspects of the reduction-oxidation reaction and intercalation processes. Furthermore, the approaches presented provide improvements to standard diagnostic and characterisation techniques, enabling the detection of possible Li-ion flow bottlenecks causing the degradation of capacity and cyclability.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000699368400001 Publication Date 2021-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2410-3896 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:181630 Serial 6890
Permanent link to this record
 

 
Author Silva, F.C.O.; Menezes, R.M.; Cabral, L.R.E.; de Souza Silva, C.C.
Title Formation and stability of conformal spirals in confined 2D crystals Type A1 Journal article
Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 32 Issue 50 Pages 505401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the ground-state and dynamical properties of nonuniform two-dimensional (2D) clusters of long-range interacting particles. We demonstrate that, when the confining external potential is designed to produce an approximate 1/ r 2 density profile, the particles crystallize into highly ordered structures featuring spiral crystalline lines. Despite the strong inhomogeneity of the observed configurations, most of them are characterized by small density of topological defects, typical of conformal crystals, and the net topological charge induced by the simply-connected geometry of the system is concentrated near the cluster center. These crystals are shown to be robust with respect to thermal fluctuations up to a certain threshold temperature, above which the net charge is progressively redistributed from the center to the rest of the system and the topological order is lost. The crystals are also resilient to the shear stress produced by a small nonuniform azimuthal force field, rotating as a rigid body (RB). For larger forces, topological defects proliferate and the RB rotation gives place to plastic flow.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2020-08-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record
Impact Factor 2.7 Times cited Open Access
Notes Approved Most recent IF: 2.7; 2020 IF: 2.649
Call Number UA @ admin @ c:irua:191093 Serial 7978
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Author Menezes, R.M.; Sardella, E.; Cabral, L.R.E.; de Souza Silva, C.C.
Title Self-assembled vortex crystals induced by inhomogeneous magnetic textures Type A1 Journal article
Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 31 Issue 17 Pages 175402
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the self-assembly of vortices in a type-II superconducting disk subjected to highly nonuniform confining potentials produced by inhomogeneous magnetic textures. Using a series of numerical experiments performed within the Ginzburg–Landau theory, we show that vortices can arrange spontaneously in highly nonuniform, defect-free crystals, reminiscent of conformal lattices, even though the strict conditions for the conformal crystal are not fulfilled. These results contradict continuum-limit theory, which predicts that the order of a nonuniform crystal is unavoidably frustrated by the presence of topological defects. By testing different cooling routes of the superconductor, we observed several different self-assembled configurations, each of which corresponding to one in a set of allowed conformal transformations, which depends on the magnetic and thermal histories of the system.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2019-01-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:191094 Serial 8511
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Author Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A.
Title Magnus induced diode effect for skyrmions in channels with periodic potentials Type A1 Journal article
Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 35 Issue 1 Pages 015804-15810
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using a particle based model, we investigate the skyrmion dynamical behavior in a channel where the upper wall contains divots of one depth and the lower wall contains divots of a different depth. Under an applied driving force, skyrmions in the channels move with a finite skyrmion Hall angle that deflects them toward the upper wall for -x direction driving and the lower wall for +x direction driving. When the upper divots have zero height, the skyrmions are deflected against the flat upper wall for -x direction driving and the skyrmion velocity depends linearly on the drive. For +x direction driving, the skyrmions are pushed against the lower divots and become trapped, giving reduced velocities and a nonlinear velocity-force response. When there are shallow divots on the upper wall and deep divots on the lower wall, skyrmions get trapped for both driving directions; however, due to the divot depth difference, skyrmions move more easily under -x direction driving, and become strongly trapped for +x direction driving. The preferred -x direction motion produces what we call a Magnus diode effect since it vanishes in the limit of zero Magnus force, unlike the diode effects observed for asymmetric sawtooth potentials. We show that the transport curves can exhibit a series of jumps or dips, negative differential conductivity, and reentrant pinning due to collective trapping events. We also discuss how our results relate to recent continuum modeling on a similar skyrmion diode system.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000880827900001 Publication Date 2022-10-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
Call Number UA @ admin @ c:irua:192031 Serial 7320
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Author Gonzalez, A.; Partoens, B.; Peeters, F.M.
Title Padé approximants for the groundstate energy of closed-shell quantum dots Type A1 Journal article
Year 1997 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 56 Issue Pages 15740-15743
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000071251000036 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 (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 18 Open Access
Notes Approved Most recent IF: 3.836; 1997 IF: NA
Call Number UA @ lucian @ c:irua:19270 Serial 2550
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Author Martin, É.; Gossuin, Y.; Bals, S.; Kavak, S.; Vuong, Q.L.
Title Monte Carlo simulations of the magnetic behaviour of iron oxide nanoparticle ensembles: taking size dispersion, particle anisotropy, and dipolar interactions into account Type A1 Journal article
Year 2022 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 95 Issue 12 Pages 201
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this work, the magnetic properties of superparamagnetic iron oxide nanoparticles (SPIONs) submitted to an external magnetic field are studied using a Metropolis algorithm. The influence on the M(B) curves of the size distribution of the nanoparticles, of uniaxial anisotropy, and of dipolar interaction between the cores are examined, as well as the influence of drying the samples under a zero or non-zero magnetic field. It is shown that the anisotropy impacts the shape of the magnetization curves, which then deviate from a pure Langevin behaviour, whereas the dipolar interaction has no influence on the curves at 300 K for small particles (with a radius of 3 nm). The fitting of the magnetization curves of particles with magnetic anisotropy to a Langevin model (including a size distribution of the particles) can then lead to erroneous values of the distribution parameters. The simulation results are qualitatively compared to experimental results obtained for iron oxide nanoparticles (with a 3.21 nm median radius).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000901937400001 Publication Date 2022-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028 ISBN Additional Links (up) UA library record; WoS full record
Impact Factor 1.6 Times cited Open Access OpenAccess
Notes The authors would like to thank Sophie Laurent from the University of Mons for the access to the Dynamic Light Scattering equipment. Computational resources have been provided by the Consortium des Equipements de Calcul Intensif (C ´ ECI), funded by the ´ Fonds de la Recherche Scientifique de Belgique (F.R.S.- FNRS) under Grant No. 2.5020.11 and by the Walloon Region. Approved Most recent IF: 1.6
Call Number EMAT @ emat @c:irua:192706 Serial 7232
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Author Karavolas, V.C.; Triberis, G.P.; Peeters, F.M.
Title Electrical and thermal transport of composite fermions Type A1 Journal article
Year 1997 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 56 Issue Pages 15289-15298
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000071043700067 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 (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 11 Open Access
Notes Approved Most recent IF: 3.836; 1997 IF: NA
Call Number UA @ lucian @ c:irua:19272 Serial 891
Permanent link to this record
 

 
Author Duden, E.I.; Savaci, U.; Turan, S.; Sevik, C.; Demiroglu, I.
Title Intercalation of argon in honeycomb structures towards promising strategy for rechargeable Li-ion batteries Type A1 Journal article
Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 35 Issue 8 Pages 085301-85311
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract High-performance rechargeable batteries are becoming very important for high-end technologies with their ever increasing application areas. Hence, improving the performance of such batteries has become the main bottleneck to transferring high-end technologies to end users. In this study, we propose an argon intercalation strategy to enhance battery performance via engineering the interlayer spacing of honeycomb structures such as graphite, a common electrode material in lithium-ion batteries (LIBs). Herein, we systematically investigated the LIB performance of graphite and hexagonal boron nitride (h-BN) when argon atoms were sent into between their layers by using first-principles density-functional-theory calculations. Our results showed enhanced lithium binding for graphite and h-BN structures when argon atoms were intercalated. The increased interlayer space doubles the gravimetric lithium capacity for graphite, while the volumetric capacity also increased by around 20% even though the volume was also increased. The ab initio molecular dynamics simulations indicate the thermal stability of such graphite structures against any structural transformation and Li release. The nudged-elastic-band calculations showed that the migration energy barriers were drastically lowered, which promises fast charging capability for batteries containing graphite electrodes. Although a similar level of battery promise was not achieved for h-BN material, its enhanced battery capabilities by argon intercalation also support that the argon intercalation strategy can be a viable route to enhance such honeycomb battery electrodes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000899825400001 Publication Date 2022-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
Call Number UA @ admin @ c:irua:193399 Serial 7313
Permanent link to this record
 

 
Author Kocabas, T.; Cakir, D.; Sevik, C.
Title First-principles discovery of stable two-dimensional materials with high-level piezoelectric response Type A1 Journal article
Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 33 Issue 11 Pages 115705
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The rational design of two-dimensional (2D) piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric (e(11), d(11)) and elastic (C-11 and C-12) properties of 128 thermodynamically stable 2D semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-V elements produce significantly high piezoelectric strain constants, d(11) > 40 pm V-1, and 49 of the materials considered have the e(11) coefficient higher than MoS2 insomuch as BrSSb has one of the largest d(11) with a value of 373.0 pm V-1. Moreover, we established a simple empirical model in order to estimate the d(11) coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000605852800001 Publication Date 2020-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:193761 Serial 7971
Permanent link to this record