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Author Wang, J.; Van Pottelberge, R.; Jacobs, A.; Van Duppen, B.; Peeters, F.M.
Title Confinement and edge effects on atomic collapse in graphene nanoribbons Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue 3 Pages 035426
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Atomic collapse in graphene nanoribbons behaves in a fundamentally different way as compared to monolayer graphene due to the presence of multiple energy bands and the effect of edges. For armchair nanoribbons we find that bound states gradually transform into atomic collapse states with increasing impurity charge. This is very different in zigzag nanoribbons where multiple quasi-one-dimensional bound states are found that originates from the zero-energy zigzag edge states. They are a consequence of the flat band and the electron distribution of these bound states exhibits two peaks. The lowest-energy edge state transforms from a bound state into an atomic collapse resonance and shows a distinct relocalization from the edge to the impurity position with increasing impurity charge.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000610779200008 Publication Date 2021-01-22
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 OpenAccess
Notes Approved (down) Most recent IF: 3.836
Call Number UA @ admin @ c:irua:176585 Serial 6719
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Author Cunha, S.M.; de Costa, D.R.; Pereira Jr, J.M.; Costa Filho, R.N.; Van Duppen, B.; Peeters, F.M.
Title Band-gap formation and morphing in alpha-T-3 superlattices Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 104 Issue 11 Pages 115409
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Electrons in alpha-T-3 lattices behave as condensed-matter analogies of integer-spin Dirac fermions. The three atoms making up the unit cell bestow the energy spectrum with an additional energy band that is completely flat, providing unique electronic properties. The interatomic hopping term, alpha, is known to strongly affect the electronic spectrum of the two-dimensional (2D) lattice, allowing it to continuously morph from graphenelike responses to the behavior of fermions in a dice lattice. For pristine lattice structures the energy bands are gapless, but small deviations in the atomic equivalence of the three sublattices will introduce gaps in the spectrum. It is unknown how these affect transport and electronic properties such as the energy spectrum of superlattice minibands. Here we investigate the dependency of these properties on the parameter a accounting for different symmetry-breaking terms, and we show how it affects band-gap formation. Furthermore, we find that superlattices can force band gaps to close and shift in energy. Our results demonstrate that alpha-T-3 superlattices provide a versatile material for 2D band-gap engineering purposes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000696091600003 Publication Date 2021-09-10
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 9 Open Access OpenAccess
Notes Approved (down) Most recent IF: 3.836
Call Number UA @ admin @ c:irua:181544 Serial 6972
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Author Pandey, T.; Covaci, L.; Milošević, M.V.; Peeters, F.M.
Title Flexoelectricity and transport properties of phosphorene nanoribbons under mechanical bending Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue 23 Pages 235406
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We examine from first principles the flexoelectric properties of phosphorene nanoribbons under mechanical bending along armchair and zigzag directions. In both cases we find that the radial polarization depends linearly on the strain gradient. The flexoelectricity along the armchair direction is over 40% larger than along the zigzag direction. The obtained flexoelectric coefficients of phosphorene are four orders of magnitude larger than those of graphene and comparable to transition metal dichalcogenides. Analysis of charge density shows that the flexoelectricity mainly arises from the pz orbitals of phosphorus atoms. The electron mobilities in bent phosphorene can be enhanced by over 60% along the armchair direction, which is significantly higher than previous reports of mobility tuned by uniaxial strain. Our results indicate phosphorene is a candidate for a two-dimensional material applicable in flexible-electronic devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000657129800006 Publication Date 2021-06-02
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 12 Open Access Not_Open_Access
Notes Approved (down) Most recent IF: 3.836
Call Number UA @ admin @ c:irua:179109 Serial 6996
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Author Miranda, L.P.; Milovanović, S.P.; Filho, R.N.C.; Peeters, F.M.
Title Hall and bend resistance of a phosphorene Hall bar Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 104 Issue 3 Pages 035401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The dependence of the Hall and bend resistances on a perpendicular magnetic field and on vacancy defects in a four-terminal phosphorene single layer Hall bar is investigated. A tight-binding model in combination with the Landauer-Buttiker formalism is used to calculate the energy spectrum, the lead-to-lead transmissions, and the Hall and bend resistances of the system. It is shown that the terminals with zigzag edge orientation are responsible for the absence of quantized plateaus in the Hall resistance and peaks in the longitudinal resistance. A negative bend resistance in the ballistic regime is found due to the presence of high- and low-energy transport modes in the armchair and zigzag terminals, respectively. The system density of states, with single vacancy defects, shows that the presence of in-gap states is proportional to the number of vacancies. Quantized plateaus in the Hall resistance are only formed in a sufficiently clean system. The effects of different kinds of vacancies where the plateaus are destroyed and a diffusive regime appears in the bend resistance are investigated.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000669002000003 Publication Date 2021-07-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 2 Open Access OpenAccess
Notes Approved (down) Most recent IF: 3.836
Call Number UA @ admin @ c:irua:179704 Serial 6997
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Author Varjovi, M.J.; Yagmurcukardes, M.; Peeters, F.M.; Durgun, E.
Title Janus two-dimensional transition metal dichalcogenide oxides: First-principles investigation of WXO monolayers with X = S, Se, and Te Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue 19 Pages 195438
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Structural symmetry breaking in two-dimensional materials can lead to superior physical properties and introduce an additional degree of piezoelectricity. In the present paper, we propose three structural phases (1H, 1T, and 1T') of Janus WXO (X = S, Se, and Te) monolayers and investigate their vibrational, thermal, elastic, piezoelectric, and electronic properties by using first-principles methods. Phonon spectra analysis reveals that while the 1H phase is dynamically stable, the 1T phase exhibits imaginary frequencies and transforms to the distorted 1T' phase. Ab initio molecular dynamics simulations confirm that 1H- and 1T'-WXO monolayers are thermally stable even at high temperatures without any significant structural deformations. Different from binary systems, additional Raman active modes appear upon the formation of Janus monolayers. Although the mechanical properties of 1H-WXO are found to be isotropic, they are orientation dependent for 1T'-WXO. It is also shown that 1H-WXO monolayers are indirect band-gap semiconductors and the band gap narrows down the chalcogen group. Except 1T'-WSO, 1T'-WXO monolayers have a narrow band gap correlated with the Peierls distortion. The effect of spin-orbit coupling on the band structure is also examined for both phases and the alteration in the band gap is estimated. The versatile mechanical and electronic properties of Janus WXO monolayers together with their large piezoelectric response imply that these systems are interesting for several nanoelectronic applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000655902600004 Publication Date 2021-05-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 78 Open Access Not_Open_Access
Notes Approved (down) Most recent IF: 3.836
Call Number UA @ admin @ c:irua:179050 Serial 7000
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Author Yagmurcukardes, M.; Mogulkoc, Y.; Akgenc, B.; Mogulkoc, A.; Peeters, F.M.
Title Prediction of monoclinic single-layer Janus Ga₂ Te X (X = S and Se) : strong in-plane anisotropy Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 104 Issue 4 Pages 045425
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By using density functional theory (DFT) based first-principles calculations, electronic, vibrational, piezo-electric, and optical properties of monoclinic Janus single-layer Ga2TeX (X = S or Se) are investigated. The dynamical, mechanical, and thermal stability of the proposed Janus single layers are verified by means of phonon bands, stiffness tensor, and quantum molecular dynamics simulations. The calculated vibrational spectrum reveals the either pure or coupled optical phonon branches arising from Ga-Te and Ga-X atoms. In addition to the in-plane anisotropy, single-layer Janus Ga2TeX exhibits additional out-of-plane asymmetry, which leads to important consequences for its electronic and optical properties. Electronic band dispersions indicate the direct band-gap semiconducting nature of the constructed Janus structures with energy band gaps falling into visible spectrum. Moreover, while orientation-dependent linear-elastic properties of Janus single layers indicate their strong anisotropy, the calculated in-plane stiffness values reveal the ultrasoft nature of the structures. In addition, predicted piezoelectric coefficients show that while there is a strong in-plane anisotropy between piezoelectric constants along armchair (AC) and zigzag (ZZ) directions, there exists a tiny polarization along the out-of-plane direction as a result of the formation of Janus structure. The optical response to electromagnetic radiation has been also analyzed through density functional theory by considering the independent-particle approximation. Finally, the optical spectra of Janus Ga2TeX structures is investigated and it showed a shift from the ultraviolet region to the visible region. The fact that the spectrum is between these regions will allow it to be used in solar energy and many nanoelectronics applications. The predicted monoclinic single-layer Janus Ga2TeX are relevant for promising applications in optoelectronics, optical dichroism, and anisotropic nanoelasticity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000678811100007 Publication Date 2021-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 14 Open Access Not_Open_Access
Notes Approved (down) Most recent IF: 3.836
Call Number UA @ admin @ c:irua:180404 Serial 7013
Permanent link to this record
 
 
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 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.
Address
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 4 Open Access OpenAccess
Notes Approved (down) Most recent IF: 3.836
Call Number UA @ admin @ c:irua:182518 Serial 7029
Permanent link to this record
 
 
Author Galvan Moya, J.E.; Nelissen, K.; Peeters, F.M.
Title Structural ordering of self-assembled clusters with competing interactions : transition from faceted to spherical clusters Type A1 Journal article
Year 2015 Publication Langmuir: the ACS journal of surfaces and colloids Abbreviated Journal Langmuir
Volume 31 Issue 31 Pages 917-924
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The self-assembly of nanoparticles into clusters and the effect of the different parameters of the competing interaction potential on it are investigated. For a small number of particles, the structural organization of the clusters is almost unaffected by the attractive part of the potential, and for an intermediate number of particles the configuration strongly depends on the strength of it. The cluster size is controlled by the range of the interaction potential, and the structural arrangement is guided by the strength of the potential: i.e., the self-assembled cluster transforms from a faceted configuration at low strength to a spherical shell-like structure at high strength. Nonmonotonic behavior of the cluster size is found by increasing the interaction range. An approximate analytical expression is obtained that predicts the smallest cluster for a specific set of potential parameters. A Mendeleev-like table is constructed for different values of the strength and range of the attractive part of the potential in order to understand the structural ordering of the ground-state configuration of the self-assembled clusters.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000348689700005 Publication Date 2014-12-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0743-7463;1520-5827; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.833 Times cited 4 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; Approved (down) Most recent IF: 3.833; 2015 IF: 4.457
Call Number c:irua:125292 Serial 3243
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Author Wang, J.; Zhao, W.-S.; Hu, Y.; Filho, R.N.C.; Peeters, F.M.
Title Charged vacancy in graphene : interplay between Landau levels and atomic collapse resonances Type A1 Journal article
Year 2024 Publication Physical review B Abbreviated Journal
Volume 109 Issue 10 Pages 104103-104106
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The interplay between a magnetic field and the Coulomb potential from a charged vacancy on the electron states in graphene is investigated within the tight-binding model. The Coulomb potential removes locally Landau level degeneracy, while the vacancy introduces a satellite level next to the normal Landau level. These satellite levels are found throughout the positive-energy region, but in the negative-energy region, they turn into atomic collapse resonances. Crossings between Landau levels with different angular quantum number m are found. Unlike the point impurity system in which an anticrossing occurs between Landau levels of the same m, in this work anticrossing is found between the normal Landau level and the vacancy-induced level. The atomic collapse resonance hybridizes with the Landau levels. The charge at which the lowest Landau level m = -1, N = 1 crosses E = 0 increases with enhancing magnetic field. A Landau level scaling anomaly occurs when the charge is larger than the critical charge beta 0.6 and this critical charge is independent of the magnetic field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001199561900008 Publication Date 2024-03-04
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
Impact Factor 3.7 Times cited Open Access
Notes Approved (down) Most recent IF: 3.7; 2024 IF: 3.836
Call Number UA @ admin @ c:irua:205508 Serial 9137
Permanent link to this record
 
 
Author Moura, V.N.; Chaves, A.; Peeters, F.M.; Milošević, M.V.
Title McMillan-Ginzburg-Landau theory of singularities and discommensurations in charge density wave states of transition metal dichalcogenides Type A1 Journal article
Year 2024 Publication Physical review B Abbreviated Journal
Volume 109 Issue 9 Pages 094507-94511
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The McMillan-Ginzburg-Landau (MGL) model for charge density waves (CDW) is employed in a systematic phenomenological study of the different phases that have been probed in recent experiments involving transition metal dichalcogenides. We implemented an efficient imaginary time evolution method to solve the MGL equations, which enabled us to investigate the role of different coupling parameters on the CDW patterns and to perform calculations with different energy functionals that lead to several experimentally observed singularities in the CDW phase profiles. In particular, by choosing the appropriate energy functionals, we were able to obtain phases that go beyond the well-known periodic phase slips (discommensurations), exhibiting also topological defects (i.e., vortex-antivortex pairs), domain walls where the CDW order parameter is suppressed, and even CDW with broken rotational symmetry. Finally, we briefly discuss the effect of these different CDW phases on the profile and critical temperature of the competing superconducting state.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001199651500001 Publication Date 2024-03-11
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
Impact Factor 3.7 Times cited Open Access
Notes Approved (down) Most recent IF: 3.7; 2024 IF: 3.836
Call Number UA @ admin @ c:irua:205491 Serial 9158
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Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V.
Title Tailoring weak and metallic phases in a strong topological insulator by strain and disorder : conductance fluctuations signatures Type A1 Journal article
Year 2024 Publication Physical review B Abbreviated Journal
Volume 109 Issue 4 Pages 045129-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Transport measurements are readily used to probe different phases in disordered topological insulators (TIs), where determining topological invariants explicitly is challenging. On that note, universal conductance fluctuations (UCF) theory asserts the conductance G for an ensemble has a Gaussian distribution, and that standard deviation 8G depends solely on the symmetries and dimensions of the system. Using a real-space tight -binding Hamiltonian on a system with Anderson disorder, we explore conductance fluctuations in a thin Bi2Se3 film and demonstrate the agreement of their behavior with UCF hypotheses. We further show that magnetic field applied out-of-plane breaks the time -reversal symmetry and transforms the system's Wigner-Dyson class from root symplectic to unitary, increasing 8G by 2. Finally, we reveal that while Bi2Se3 is a strong TI, weak TI and metallic phases can be stabilized in presence of strain and disorder, and detected by monitoring the conductance fluctuations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001173938400008 Publication Date 2024-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 1 Open Access
Notes Approved (down) Most recent IF: 3.7; 2024 IF: 3.836
Call Number UA @ admin @ c:irua:204765 Serial 9177
Permanent link to this record
 
 
Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V.
Title High Chern number in strained thin films of dilute magnetic topological insulators Type A1 Journal article
Year 2023 Publication Physical review B Abbreviated Journal
Volume 107 Issue 19 Pages 195119-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The quantum anomalous Hall effect was first observed experimentally by doping the Bi2Se3 materials family with chromium, where 5% doping induces an exchange field of around 0.1 eV. In ultrathin films, a topological phase transition from a normal insulator to a Chern insulator can be induced with an exchange field proportional to the hybridization gap. Subsequent transitions to states with higher Chern numbers require an exchange field larger than the (bulk) band gap, but are prohibited in practice by the detrimental effects of higher doping levels. Here, we show that threshold doping for these phase transitions in thin films is controllable by strain. As a consequence, higher Chern states can be reached with experimentally feasible doping, sufficiently dilute for the topological insulator to remain structurally stable. Such a facilitated realization of higher Chern insulators opens prospects for multichannel quantum computing, higher-capacity circuit interconnects, and energy-efficient electronic devices at elevated temperatures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000995111000003 Publication Date 2023-05-11
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
Impact Factor 3.7 Times cited 2 Open Access OpenAccess
Notes Approved (down) Most recent IF: 3.7; 2023 IF: 3.836
Call Number UA @ admin @ c:irua:197295 Serial 8820
Permanent link to this record
 
 
Author Ahmadkhani, S.; Alihosseini, M.; Ghasemi, S.; Ahmadabadi, I.; Hassani, N.; Peeters, F.M.; Neek-Amal, M.
Title Multiband flattening and linear Dirac band structure in graphene with impurities Type A1 Journal article
Year 2023 Publication Physical review B Abbreviated Journal
Volume 107 Issue 7 Pages 075401-75408
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Flat bands in the energy spectrum have attracted a lot of attention in recent years because of their unique properties and promising applications. Special arrangement of impurities on monolayer graphene are proposed to generate multiflat bands in the electronic band structure. In addition to the single midgap states in the spectrum of graphene with low hydrogen density, we found closely spaced bands around the Fermi level with increasing impurity density, which are similar to discrete lines in the spectrum of quantum dots, as well as the unusual Landau-level energy spectrum of graphene in the presence of a strong magnetic field. The presence of flat bands crucially depends on whether or not there are odd or even electrons of H(F) atoms bound to graphene. Interestingly, we found that a fully hydrogenated (fluoridated) of a hexagon of graphene sheet with six hydrogen (fluorine) atoms sitting on top and bottom in consecutive order exhibits Dirac cones in the electronic band structure with a 20% smaller Fermi velocity as compared to the pristine graphene. Functionalizing graphene introduces various C-C bond lengths resulting in nonuniform strains. Such a nonuniform strain may induce a giant pseudomagnetic field in the system, resulting in quantum Hall effect.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000994364500006 Publication Date 2023-02-02
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 1 Open Access OpenAccess
Notes Approved (down) Most recent IF: 3.7; 2023 IF: 3.836
Call Number UA @ admin @ c:irua:197431 Serial 8822
Permanent link to this record
 
 
Author Lima, I.L.C.; Milošević, M.V.; Peeters, F.M.; Chaves, A.
Title Tuning of exciton type by environmental screening Type A1 Journal article
Year 2023 Publication Physical review B Abbreviated Journal
Volume 108 Issue 11 Pages 115303-115308
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We theoretically investigate the binding energy and electron-hole (e-h) overlap of excitonic states confined at the interface between two-dimensional materials with type-II band alignment, i.e., with lowest conduction and highest valence band edges placed in different materials, arranged in a side-by-side planar heterostructure. We propose a variational procedure within the effective mass approximation to calculate the exciton ground state and apply our model to a monolayer MoS2/WS2 heterostructure. The role of nonabrupt interfaces between the materials is accounted for in our model by assuming a WxMo1-xS2 alloy around the interfacial region. Our results demonstrate that (i) interface-bound excitons are energetically favorable only for small interface thickness and/or for systems under high dielectric screening by the materials surrounding the monolayer, and that (ii) the interface exciton binding energy and its e-h overlap are controllable by the interface width and dielectric environment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001077758300002 Publication Date 2023-09-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited 1 Open Access
Notes Approved (down) Most recent IF: 3.7; 2023 IF: 3.836
Call Number UA @ admin @ c:irua:200356 Serial 9110
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Author Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Peeters, F.M.; Çakir, D.
Title Assessment of sulfur-functionalized MXenes for li-ion battery applications Type A1 Journal article
Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume 124 Issue 39 Pages 21293-21304
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and fluorine-terminated MXenes have been widely studied for energy storage applications. Recently, sulfur-functionalized MXene structures, which possess low diffusion barriers, have been proposed as candidate materials to enhance battery performance. We performed first-principles calculations on the structural, stability, electrochemical, and ion dynamic properties of Li-adsorbed sulfur-functionalized groups 3B, 4B, 5B, and 6B transition-metal (M)-based MXenes (i.e., M2CS2 with M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W). We performed phonon calculations, which indicated that all of the above M2CS2 MXenes, except for Sc, are dynamically stable at T = 0 K. The ground-state structure of each M2CS2 monolayer depends on the type of M atom. For instance, while sulfur prefers to sit at the FCC site on Ti2CS2, it occupies the HCP site of Cr-based MXene. We determined the Li adsorption configurations at different concentrations using the cluster expansion method. The highest maximum open-circuit voltages were computed for the group 4B element (i.e., Ti, Zr, and Hf)-based M2CS2, which are larger than 2.1 V, while their average voltages are approximately 1 V. The maximum voltage for the group 6B element (i.e., Cr, Mo, W)-based M2CS2 is less than 1 V, and the average voltage is less than 0.71 V. We found that S functionalization is helpful for capacity improvements over the O-terminated MXenes. In this respect, the computed storage gravimetric capacity may reach up to 417.4 mAh/g for Ti2CS2 and 404.5 mAh/g for V2CS2. Ta-, Cr-, Mo-, and W-based M2CS2 MXenes show very low capacities, which are less than 100 mAh/g. The Li surface diffusion energy barriers for all of the considered MXenes are less than 0.22 eV, which is favorable for high charging and discharging rates. Finally, ab initio molecular dynamic simulations performed at 400 K and bond-length analysis with respect to Li concentration verify that selected promising systems are robust against thermally induced perturbations that may induce structural transformations or distortions and undesirable Li release.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000577151900008 Publication Date 2020-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 24 Open Access
Notes ; Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118F512 and the Air Force Office of Scientific Research under award no. FA9550-19-1-7048. This work was performed in part at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User. 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. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118C026. ; Approved (down) Most recent IF: 3.7; 2020 IF: 4.536
Call Number UA @ admin @ c:irua:172693 Serial 6452
Permanent link to this record
 
 
Author Mirzakhani, M.; Peeters, F.M.; Zarenia, M.
Title Circular quantum dots in twisted bilayer graphene Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue 7 Pages 075413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Within a tight-binding approach, we investigate the effect of twisting angle on the energy levels of circular bilayer graphene (BLG) quantum dots (QDs) in both the absence and presence of a perpendicular magnetic field. The QDs are defined by an infinite-mass potential, so that the specific edge effects are not present. In the absence of magnetic field (or when the magnetic length is larger than the moire length), we show that the low-energy states in twisted BLG QDs are completely affected by the formation of moire patterns, with a strong localization at AA-stacked regions. When magnetic field increases, the energy gap of an untwisted BLG QD closes with the edge states, localized at the boundaries between the AA- and AB-stacked spots in a twisted BLG QD. Our observation of the spatial localization of the electrons in twisted BLG QDs can be experimentally probed by low-bias scanning tunneling microscopy measurements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000512772200004 Publication Date 2020-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 19 Open Access
Notes ; We gratefully acknowledge discussions with I. Snyman. M.Z. acknowledges support from the U.S. Department of Energy (Office of Science) under Grant No. DE-FG0205ER46203. ; Approved (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:166493 Serial 6470
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Author Conti, S.; Van der Donck, M.; Perali, A.; Peeters, F.M.; Neilson, D.
Title Doping-dependent switch from one- to two-component superfluidity in coupled electron-hole van der Waals heterostructures Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue 22 Pages 220504-220506
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The hunt for high-temperature superfluidity has received new impetus from the discovery of atomically thin stable materials. Electron-hole superfluidity in coupled MoSe2-WSe2 monolayers is investigated using a mean-field multiband model that includes band splitting caused by strong spin-orbit coupling. This splitting leads to a large energy misalignment of the electron and hole bands which is strongly modified by interchanging the doping of the monolayers. The choice of doping determines if the superfluidity is tunable from one to two components.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000538941900002 Publication Date 2020-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 12 Open Access
Notes ; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl), the Methusalem Foundation, and the FLAG-ERA project TRANS2DTMD. We thank A. R. Hamilton and A. Vargas-Paredes for useful discussions. ; Approved (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:170201 Serial 6489
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Author Saberi-Pouya, S.; Conti, S.; Perali, A.; Croxall, A.F.; Hamilton, A.R.; Peeters, F.M.; Neilson, D.
Title Experimental conditions for the observation of electron-hole superfluidity in GaAs heterostructures Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue 14 Pages 140501-140506
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The experimental parameter ranges needed to generate superfluidity in optical and drag experiments in GaAs double quantum wells are determined using a formalism that includes self-consistent screening of the Coulomb pairing interaction in the presence of the superfluid. The very different electron and hole masses in GaAs make this a particularly interesting system for superfluidity with exotic superfluid phases predicted in the BCS-Bose-Einstein condensation crossover regime. We find that the density and temperature ranges for superfluidity cover the range for which optical experiments have observed indications of superfluidity but that existing drag experiments lie outside the superfluid range. We also show that, for samples with low mobility with no macroscopically connected superfluidity, if the superfluidity survives in randomly distributed localized pockets, standard quantum capacitance measurements could detect these pockets.
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 18 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 (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:168561 Serial 6517
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Author Wang, J.; Andelkovic, M.; Wang, G.; Peeters, F.M.
Title Molecular collapse in graphene: Sublattice symmetry effect Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 102 Issue 6 Pages 064108-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Atomic collapse can be observed in graphene because of its large “effective” fine structure constant, which enables this phenomenon to occur for an impurity charge as low as Z(c) similar to 1-2. Here we investigate the effect of the sublattice symmetry on molecular collapse in two spatially separated charge tunable vacancies, which are located on the same (A-A type) or different (A-B type) sublattices. We find that the broken sublattice symmetry: (1) does not affect the location of the main bonding and antibonding molecular collapse peaks, (2) but shifts the position of the satellite peaks, because they are a consequence of the breaking of the local sublattice symmetry, and (3) there are vacancy characteristic collapse peaks that only occur for A-B type vacancies, which can be employed to distinguish them experimentally from the A-A type. As the charge, energy, and separation distance increase, the additional collapse features merge with the main molecular collapse peaks. We show that the spatial distribution around the vacancy site of the collapse states allows us to differentiate the molecular from the frustrated collapse.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000562320700002 Publication Date 2020-08-25
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 3.7 Times cited 3 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China (Grants No. 61874038 and No. 61704040), National Key R&D Program Grant 2018YFE0120000, the scholarship from China Scholarship Council (CSC: 201908330548), and TRANS2DTMD FlagEra project. ; Approved (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:172065 Serial 6562
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Author Plumadore, R.; Baskurt, M.; Boddison-Chouinard, J.; Lopinski, G.; Modarresi, M.; Potasz, P.; Hawrylak, P.; Sahin, H.; Peeters, F.M.; Luican-Mayer, A.
Title Prevalence of oxygen defects in an in-plane anisotropic transition metal dichalcogenide Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 102 Issue 20 Pages 205408
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Atomic scale defects in semiconductors enable their technological applications and realization of different quantum states. Using scanning tunneling microscopy and spectroscopy complemented by ab initio calculations we determine the nature of defects in the anisotropic van der Waals layered semiconductor ReS2. We demonstrate the in-plane anisotropy of the lattice by directly visualizing chains of rhenium atoms forming diamond-shaped clusters. Using scanning tunneling spectroscopy we measure the semiconducting gap in the density of states. We reveal the presence of lattice defects and by comparison of their topographic and spectroscopic signatures with ab initio calculations we determine their origin as oxygen atoms absorbed at lattice point defect sites. These results provide an atomic-scale view into the semiconducting transition metal dichalcogenides, paving the way toward understanding and engineering their properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000587595800007 Publication Date 2020-11-09
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 9 Open Access
Notes ; The authors acknowledge funding from National Sciences and Engineering Research Council (NSERC) Discovery Grant No. RGPIN-2016-06717. We also acknowledge the support of the Natural Sciences and Engineering Research Council of Canada (NSERC) through QC2DM Strategic Project No. STPGP 521420. P.H. thanks uOttawa Research Chair in Quantum Theory of Materials for support. P.P. acknowledges partial financial support from National Science Center (NCN), Poland, Grant Maestro No. 2014/14/A/ST3/00654, and calculations were performed in theWroclaw Center for Networking and Supercomputing. H.S. acknowledges financial support from TUBITAK under Project No. 117F095 and from Turkish Academy of Sciences under the GEBIP program. Our computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). ; Approved (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:173525 Serial 6584
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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 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 (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:167680 Serial 6594
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Author Li, L.L.; Bacaksiz, C.; Nakhaee, M.; Pentcheva, R.; Peeters, F.M.; Yagmurcukardes, M.
Title Single-layer Janus black arsenic-phosphorus (b-AsP): optical dichroism, anisotropic vibrational, thermal, and elastic properties Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue 13 Pages 134102-134109
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By using density functional theory (DFT) calculations, we predict a puckered, dynamically stable Janus single-layer black arsenic-phosphorus (b-AsP), which is composed of two different atomic sublayers, arsenic and phosphorus atoms. The calculated phonon spectrum reveals that Janus single-layer b-AsP is dynamically stable with either pure or coupled optical phonon branches arising from As and P atoms. The calculated Raman spectrum indicates that due to the relatively strong P-P bonds, As atoms have no contribution to the highfrequency optical vibrations. In addition, the orientation-dependent isovolume heat capacity reveals anisotropic contributions of LA and TA phonon branches to the low-temperature thermal properties. Unlike pristine single layers of b-As and b-P, Janus single-layer b-AsP exhibits additional out-of-plane asymmetry which leads to important consequences for its electronic, optical, and elastic properties. In contrast to single-layer b-As, Janus single-layer b-AsP is found to possess a direct band gap dominated by the P atoms. Moreover, real and imaginary parts of the dynamical dielectric function, including excitonic effects, reveal the highly anisotropic optical feature of the Janus single-layer. A tight-binding (TB) model is also presented for Janus single-layer b-AsP, and it is shown that, with up to seven nearest hoppings, the TB model reproduces well the DFT band structure in the low-energy region around the band gap. This TB model can be used in combination with the Green's function approach to study, e.g., quantum transport in finite systems based on Janus single-layer b-AsP. Furthermore, the linear-elastic properties of Janus single-layer b-AsP are investigated, and the orientation-dependent in-plane stiffness and Poisson ratio are calculated. It is found that the Janus single layer exhibits strong in-plane anisotropy in its Poisson ratio much larger than that of single-layer b-P. This Janus single layer is relevant for promising applications in optical dichroism and anisotropic nanoelasticity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000524531900001 Publication Date 2020-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 39 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 (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:168554 Serial 6602
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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 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 66 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 (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:169566 Serial 6614
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Author Zhao, X.N.; Xu, W.; Xiao, Y.M.; Liu, J.; Van Duppen, B.; Peeters, F.M.
Title Terahertz optical Hall effect in monolayer MoS₂ in the presence of proximity-induced interactions Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue 24 Pages 245412-12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of proximity-induced interactions such as Rashba spin-orbit coupling (SOC) and exchange interaction on the electronic and optical properties of n-type monolayer (ML) MoS2 is investigated. We predict and demonstrate that the Rashba SOC can induce an in-plane spin splitting with terahertz (THz) energy, while the exchange interaction lifts the energy degeneracy in different valleys. Thus, spin polarization can be achieved in an n-type ML MoS2 and valley Hall or optical Hall effect can be observed using linearly polarized THz radiation. In such a case, the transverse optical conductivity sigma(xy) (omega) results from spin-flip transition within spin-split conduction bands and from the fact that contributions from electrons with different spin orientations in different valleys can no longer be canceled out. Interestingly, we find that for fixed effective Zeeman field (or exchange interaction) the lowest spin-split conduction band in ML MoS2 can be tuned from one in the K valley to another one in the K' valley by varying the Rashba parameter lambda(R). Therefore, by changing lambda(R) we can turn the sign of the spin polarization and Im sigma(xy) (omega) from positive to negative. Moreover, we find that the dominant contribution of the selection rules to sigma(xx)(omega) is from electrons in the K valley and to sigma(xy) (omega) is from electrons in the K' valley. These important and interesting theoretical findings can be helpful to experimental observation of the optical Hall effect in valleytronic systems using linearly polarized THz radiation fields.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000538715500011 Publication Date 2020-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 8 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China (Grants No. U1930116, No. U1832153, and No. 11574319) and the Center of Science and Technology of Hefei Academy of Science (Grant No. 2016FXZY002). ; Approved (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:170206 Serial 6622
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Author Van der Donck, M.; Conti, S.; Perali, A.; Hamilton, A.R.; Partoens, B.; Peeters, F.M.; Neilson, D.
Title Three-dimensional electron-hole superfluidity in a superlattice close to room temperature Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 102 Issue 6 Pages 060503
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Although there is strong theoretical and experimental evidence for electron-hole superfluidity in separated sheets of electrons and holes at low T, extending superfluidity to high T is limited by strong two-dimensional fluctuations and Kosterlitz-Thouless effects. We show this limitation can be overcome using a superlattice of alternating electron- and hole-doped semiconductor monolayers. The superfluid transition in a three-dimensional superlattice is not topological, and for strong electron-hole pair coupling, the transition temperature T-c can be at room temperature. As a quantitative illustration, we show T-c can reach 270 K for a superfluid in a realistic superlattice of transition metal dichalcogenide monolayers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000562320700001 Publication Date 2020-08-25
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 3.7 Times cited 8 Open Access
Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for M.V.d.D., by the FLAG-ERA project TRANS-2D-TMD, and by the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics (Project No. CE170100039). We thank Milorad V. Milossevi ' c, Pierbiagio Pieri, and Jacques Tempere for helpful discussions. ; Approved (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:172064 Serial 6628
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Author Bafekry, A.; Neek-Amal, M.; Peeters, F.M.
Title Two-dimensional graphitic carbon nitrides: strain-tunable ferromagnetic ordering Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue 16 Pages 165407-165408
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first-principle calculations, we systematically study strain tuning of the electronic properties of two- dimensional graphitic carbon nitride nanosheets with empirical formula CnNm. We found the following: (i) the ferromagnetic ordered state in the metal-free systems (n, m) = (4,3), (10,9), and (14,12) remains stable in the presence of strain of about 6%. However, the system (9,7) loses its ferromagnetic ordering when increasing strain. This is due to the presence of topological defects in the (9,7) system, which eliminates the asymmetry between spin up and spin down of the p(z) orbitals when strain is applied. (ii) By applying uniaxial strain, a band gap opens in systems which are initially gapless. (iii) In semiconducting systems which have an initial gap of about 1 eV, the band gap is closed with applying uniaxial strain.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000523630200012 Publication Date 2020-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 27 Open Access
Notes ; ; Approved (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:168560 Serial 6643
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Author Milovanović, S.P.; Andelkovic, M.; Covaci, L.; Peeters, F.M.
Title Band flattening in buckled monolayer graphene Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 102 Issue 24 Pages 245427
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract The strain fields of periodically buckled graphene induce a periodic pseudomagnetic field (PMF) that modifies the electronic band structure. From the geometry, amplitude, and period of the periodic pseudomagnetic field, we determine the necessary conditions to access the regime of correlated phases by examining the band flattening. As compared to twisted bilayer graphene the proposed system has the advantages that (1) only a single layer of graphene is needed, (2) one is not limited to hexagonal superlattices, and (3) narrower flat bandwidth and larger separation between flat bands can be induced. We, therefore, propose that periodically strained graphene single layers can become a platform for the exploration of exotic many-body phases.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000602844600007 Publication Date 2020-12-28
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 27 Open Access OpenAccess
Notes ; S.P.M. is supported by the Flemish Science Foundation (FWO). We thank E. Y. Andrei, Y. Jiang, and J. Mao for fruitful discussions. ; Approved (down) Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:175021 Serial 6684
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Author Villegas, C.E.P.; Tavares, M.R.S.; Hai, G.-Q.; Peeters, F.M.
Title Sorting the modes contributing to guidance in strain-induced graphene waveguides Type A1 Journal article
Year 2013 Publication New journal of physics Abbreviated Journal New J Phys
Volume 15 Issue Pages 023015-11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We propose a simple way of probing the number of modes contributing to the channeling in graphene waveguides which are formed by a gauge potential produced by mechanical strain. The energy mode structure for both homogeneous and non-homogeneous strain regimes is carefully studied using the continuum description of the Dirac equation. We found that high strain values privilege negative (instead of positive) group velocities throughout the guidance, sorting the types of modes flowing through it. We also show how the effect of a substrate-induced gap competes against the strain.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000314868000002 Publication Date 2013-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 7 Open Access
Notes ; This work was supported by FAPESP, CNPq and the Flemish Science Foundation (FWO-VI). ; Approved (down) Most recent IF: 3.786; 2013 IF: 3.671
Call Number UA @ lucian @ c:irua:107667 Serial 3056
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Author Zhao, H.J.; Misko, V.R.; Peeters, F.M.
Title Analysis of pattern formation in systems with competing range interactions Type A1 Journal article
Year 2012 Publication New journal of physics Abbreviated Journal New J Phys
Volume 14 Issue Pages 063032
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We analyzed pattern formation and identified various morphologies in a system of particles interacting through a non-monotonic potential with a competing range interaction characterized by a repulsive core (r < r(c)) and an attractive tail (r > r(c)), using molecular-dynamics simulations. Depending on parameters, the interaction potential models the inter-particle interaction in various physical systems ranging from atoms, molecules and colloids to vortices in low kappa type-II superconductors and in recently discovered 'type-1.5' superconductors. We constructed a 'morphology diagram' in the plane 'critical radius r(c)-density n' and proposed a new approach to characterizing the different types of patterns. Namely, we elaborated a set of quantitative criteria in order to identify the different pattern types, using the radial distribution function (RDF), the local density function and the occupation factor.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000306946600003 Publication Date 2012-06-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 45 Open Access
Notes ; We acknowledge useful discussions with Ernst Helmut Brandt, Charles Reichhardt and Cynthia Olson Reichhardt. This work was supported by the 'Odysseus' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; Approved (down) Most recent IF: 3.786; 2012 IF: 4.063
Call Number UA @ lucian @ c:irua:101140 Serial 102
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Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
Title Composite vortex ordering in superconducting films with arrays of blind holes Type A1 Journal article
Year 2009 Publication New journal of physics Abbreviated Journal New J Phys
Volume 11 Issue Pages 013025,1-013025,20
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The pinning properties of a superconducting thin film with a square array of blind holes are studied using the nonlinear GinzburgLandau theory. Although blind holes provide a weaker pinning potential than holes (also called antidots), several novel vortex structures are predicted for different size and thickness of the blind holes. Orientational dimer and trimer vortex states as well as concentric vortex shells can nucleate in the blind holes. In addition, we predict the stabilization of giant vortices that may be located both in the pinning centers and/or at the interstitial sites, as well as the combination of giant vortices with sets of individual vortices. For large blind holes, local vortex shell structures inside the blind holes may transfer their symmetry to interstitial vortices as well. The subtle interplay of shell formation and traditional Abrikosov vortex lattices inside the blind holes is also studied for different numbers of trapped vortices.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000262932600002 Publication Date 2009-01-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 33 Open Access
Notes Approved (down) Most recent IF: 3.786; 2009 IF: 3.312
Call Number UA @ lucian @ c:irua:75987 Serial 441
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