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Author Motta, M.; Burger, L.; Jiang, L.; Acosta, J.D.G.; Jelić, Ž.L.; Colauto, F.; Ortiz, W.A.; Johansen, T.H.; Milošević, M.V.; Cirillo, C.; Attanasio, C.; Xue, C.; Silhanek, A., V.; Vanderheyden, B.
  Title Metamorphosis of discontinuity lines and rectification of magnetic flux avalanches in the presence of noncentrosymmetric pinning forces Type A1 Journal article
  Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
  Volume 103 Issue 22 Pages 224514
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Considering a noncentrosymmetric pinning texture composed of a square array of triangular holes, the magnetic flux penetration and expulsion are investigated experimentally and theoretically. A direct visualization of the magnetic landscape obtained using a magneto-optical technique on a Nb film is complemented by a multiscale numerical modeling. This combined approach allows the magnetic flux dynamics to be identified from the single flux quantum limit up to the macroscopic electromagnetic response. Within the theoretical framework provided by time-dependent Ginzburg-Landau simulations, an estimation of the in-plane current anisotropy is obtained and its dependence with the radius of the curvature of hole vertices is addressed. These simulations show that current crowding plays an important role in channeling the flux motion, favoring hole-to-hole flux hopping rather than promoting interstitial flux displacement in between the holes. The resulting anisotropy of the critical current density gives rise to a distinct pattern of discontinuity lines for increasing and decreasing applied magnetic fields, in sharp contrast to the invariable patterns reported for centrosymmetric pinning potentials. This observation is partially accounted for by the rectification effect, as demonstrated by finite-element modeling. At low temperatures, where magnetic field penetration is dominated by thermomagnetic instabilities, highly directional magnetic flux avalanches with a fingerlike shape are observed to propagate along the easy axis of the pinning potential. This morphology is reproduced by numerical simulations. Our findings demonstrate that anisotropic pinning landscapes and, in particular, ratchet potentials produce subtle modifications to the critical state field profile that are reflected in the distribution of discontinuity lines.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000687246200001 Publication Date 2021-06-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 6 Open Access OpenAccess
  Notes Approved Most recent IF: 3.836
  Call Number UA @ admin @ c:irua:181714 Serial 7002
Permanent link to this record
 

 
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 (down) 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 Most recent IF: 3.836
  Call Number UA @ admin @ c:irua:180404 Serial 7013
Permanent link to this record
 

 
Author Mijin, S.D.; Baum, A.; Bekaert, J.; Solajic, A.; Pesic, J.; Liu, Y.; He, G.; Milošević, M.V.; Petrovic, C.; Popovic, Z., V; Hackl, R.; Lazarevic, N.
  Title Probing charge density wave phases and the Mott transition in 1T-TaS₂I by inelastic light scattering Type A1 Journal article
  Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
  Volume 103 Issue 24 Pages 245133
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We present a polarization-resolved, high-resolution Raman scattering study of the three consecutive charge density wave (CDW) regimes in 1T-TaS2 single crystals, supported by ab initio calculations. Our analysis of the spectra within the low-temperature commensurate (C-CDW) regime shows P (3) over bar symmetry of the system, thus excluding the previously proposed triclinic stacking of the “star-of-David” structure, and promoting trigonal or hexagonal stacking instead. The spectra of the high-temperature incommensurate (IC-CDW) phase directly project the phonon density of states due to the breaking of the translational invariance, supplemented by sizable electron-phonon coupling. Between 200 and 352 K, our Raman spectra show contributions from both the IC-CDW and the C-CDW phases, indicating their coexistence in the so-called nearly commensurate (NC-CDW) phase. The temperature dependence of the symmetry-resolved Raman conductivity indicates the stepwise reduction of the density of states in the CDW phases, followed by a Mott transition within the C-CDW phase. We determine the size of the Mott gap to be Omega(gap) approximate to 170-190 meV, and track its temperature dependence.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000664450500002 Publication Date 2021-06-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 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 Most recent IF: 3.836
  Call Number UA @ admin @ c:irua:179664 Serial 7015
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 (down) 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 Most recent IF: 3.836
  Call Number UA @ admin @ c:irua:182518 Serial 7029
Permanent link to this record
 

 
Author Zhang, H.Y.; Xiao, Y.M.; N. Li, Q.; Ding, L.; Van Duppen, B.; Xu, W.; Peeters, F.M.
  Title Anisotropic and tunable optical conductivity of a two-dimensional semi-Dirac system in the presence of elliptically polarized radiation Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 105 Issue 11 Pages 115423-115429
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We investigate the effect of ellipticity ratio of the polarized radiation field on optoelectronic properties of a two-dimensional (2D) semi-Dirac (SD) system. The optical conductivity is calculated within the energy balance equation approach derived from the semiclassical Boltzmann equation. We find that there exists the anisotropic optical absorption induced via both the intra-and interband electronic transition channels in the perpendicular xx and yy directions. Furthermore, we examine the effects of the ellipticity ratio, the temperature, the carrier density, and the band-gap parameter on the optical conductivity of the 2D SD system placed in transverse and vertical directions, respectively. It is shown that the ellipticity ratio, temperature, carrier density, and band-gap parameter can play the important roles in tuning the strength, peak position, and shape of the optical conductivity spectrum. The results obtained from this study indicate that the 2D SD system can be a promising anisotropic and tunable optical and optoelectronic material for applications in innovative 2D optical and optoelectronic devices, which are active in the infrared and terahertz bandwidths.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000802810700002 Publication Date 2022-03-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 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 OpenAccess
  Notes Approved Most recent IF: 3.7
  Call Number UA @ admin @ c:irua:188660 Serial 7125
Permanent link to this record
 

 
Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V.
  Title Controlling the hybridization gap and transport in a thin-film topological insulator : effect of strain, and electric and magnetic field Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 106 Issue 3 Pages 035119-7
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In a thin-film topological insulator (TI), the edge states on two surfaces may couple by quantum tunneling, opening a gap known as the hybridization gap. Controlling the hybridization gap and transport has a variety of potential uses in photodetection and energy-harvesting applications. In this paper, we report the effect of strain, and electric and magnetic field, on the hybridization gap and transport in a thin Bi2Se3 film, investigated within the tight-binding theoretical framework. We demonstrate that vertical compression decreases the hybridization gap, as does tensile in-plane strain. Applying an electric field breaks the inversion symmetry and leads to a Rashba-like spin splitting proportional to the electric field, hence closing and reopening the gap. The influence of a magnetic field on thin-film TI is also discussed, starting from the role of an out-of-plane magnetic field on quantum Hall states. We further demonstrate that the hybridization gap can be controlled by an in-plane magnetic field, and that by applying a sufficiently strong field a quantum phase transition from an insulator to a semimetal can be achieved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000832277500001 Publication Date 2022-07-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited 7 Open Access Not_Open_Access
  Notes Approved Most recent IF: 3.7
  Call Number UA @ admin @ c:irua:189515 Serial 7140
Permanent link to this record
 

 
Author Mirzakhani, M.; da Costa, D.R.; Peeters, F.M.
  Title Isolated and hybrid bilayer graphene quantum rings Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 105 Issue 11 Pages 115430-11
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using the continuum model, we investigate the electronic properties of two types of bilayer graphene (BLG) quantum ring (QR) geometries: (i) An isolated BLG QR and (ii) a monolayer graphene (MLG) with a QR put on top of an infinite graphene sheet (hybrid BLG QR). Solving the Dirac-Weyl equation in the presence of a perpendicular magnetic field and applying the infinite mass boundary condition at the ring boundaries, we obtain analytical results for the energy levels and corresponding wave spinors for both structures. In the case of isolated BLG QR, we observe a sizable and magnetically tunable band gap which agrees with the tight-binding transport simulations. Our analytical results also show the intervalley symmetry EeK (m) = ???EK??? h (m) between the electron (e) and the hole (h) states (m is the angular momentum quantum number) for the energy spectrum of the isolated BLG QR. The presence of interface boundary in a hybrid BLG QR modifies drastically the energy levels as compared with that of an isolated BLG QR. Its energy levels are tunable from MLG dot to isolated BLG QR and to MLG Landau energy levels as the magnetic field is varied. Our predictions can be verified experimentally using different techniques such as by magnetotransport measurements.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000801209300006 Publication Date 2022-03-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited 4 Open Access OpenAccess
  Notes Approved Most recent IF: 3.7
  Call Number UA @ admin @ c:irua:188703 Serial 7175
Permanent link to this record
 

 
Author Moura, V.N.; Dantas, D.S.; Farias, G.A.; Chaves, A.; Milošević, M.V.
  Title Latent superconductivity at parallel interfaces in a superlattice dominated by another collective quantum phase Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 106 Issue 1 Pages 014516-10
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We theoretically examine behavior of superconductivity at parallel interfaces separating the domains of another dominant collective excitation, such as charge density waves or spin density waves. Due to their competitive coupling in a two-component Ginzburg-Landau model, suppression of the dominant order parameter at the interfacial planes allows for nucleation of the (hidden) superconducting order parameter at those planes. In such a case, we demonstrate how the number of the parallel interfacial planes and the distance between them are linked to the number and the size of the emerging superconducting gaps in the system, as well as the versatility and temperature evolution of the possible superconducting phases. These findings bear relevance to a broad selection of known layered superconducting materials, as well as to further design of artificial (e.g., oxide) superlattices, where the interplay between competing order parameters paves the way towards otherwise unattainable superconducting states, some with enhanced superconducting critical temperature.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000834346000004 Publication Date 2022-07-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.7
  Call Number UA @ admin @ c:irua:189520 Serial 7179
Permanent link to this record
 

 
Author Vizarim, N.P.; Souza, J.C.B.; Reichhardt, C.J.O.; Reichhardt, C.; Milošević, M.V.; Venegas, P.A.
  Title Soliton motion in skyrmion chains : stabilization and guidance by nanoengineered pinning Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 105 Issue 22 Pages 224409-224412
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using a particle-based model we examine the depinning motion of solitons in skyrmion chains in quasi -onedimensional (1D) and two-dimensional (2D) systems containing embedded 1D interfaces. The solitons take the form of a particle or hole in a commensurate chain of skyrmions. Under an applied drive, just above a critical depinning threshold, the soliton moves with a skyrmion Hall angle of zero. For higher drives, the entire chain depins, and in a 2D system we observe that both the solitons and chain move at zero skyrmion Hall angle and then transition to a finite skyrmion Hall angle as the drive increases. In a 2D system with a 1D interface that is at an angle to the driving direction, there can be a reversal of the sign of the skyrmion Hall angle from positive to negative. Our results suggest that solitons in skyrmion systems could be used as information carriers in racetrack geometries that would avoid the drawbacks of finite skyrmion Hall angles. The soliton states become mobile at significantly lower drives than the depinning transition of the skyrmion chains themselves.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000823038900004 Publication Date 2022-06-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited 2 Open Access OpenAccess
  Notes Approved Most recent IF: 3.7
  Call Number UA @ admin @ c:irua:189671 Serial 7209
Permanent link to this record
 

 
Author Cunha, S.M.; da Costa, D.R.; Pereira, J.M., Jr.; Costa Filho, R.N.; Van Duppen, B.; Peeters, F.M.
  Title Tunneling properties in α-T₃ lattices : effects of symmetry-breaking terms Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 105 Issue 16 Pages 165402-165414
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The alpha-T3 lattice model interpolates a honeycomb (graphene-like) lattice and a T3 (also known as dice) lattice via the parameter alpha. These lattices are made up of three atoms per unit cell. This gives rise to an additional dispersionless flat band touching the conduction and valence bands. Electrons in this model are analogous to Dirac fermions with an enlarged pseudospin, which provides unusual tunneling features like omnidirectional Klein tunneling, also called super-Klein tunneling (SKT). However, it is unknown how small deviations in the equivalence between the atomic sites, i.e., variations in the alpha parameter, and the number of tunnel barriers changes the transmission properties. Moreover, it is interesting to learn how tunneling occurs through regions where the energy spectrum changes from linear with a middle flat band to a hyperbolic dispersion. In this paper we investigate these properties, its dependence on the number of square barriers and the alpha parameter for either gapped and gapless cases. Furthermore, we compare these results to the case where electrons tunnel from a region with linear dispersion to a region with a bandgap. In the latter case, contrary to tunneling through a potential barrier, the SKT is no longer observed. Finally, we find specific cases where transmission is allowed due to a symmetry breaking of sublattice equivalence.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000805195200001 Publication Date 2022-04-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.7
  Call Number UA @ admin @ c:irua:188614 Serial 7222
Permanent link to this record
 

 
Author Lazarevic, N.; Baum, A.; Milosavljevic, A.; Peis, L.; Stumberger, R.; Bekaert, J.; Solajic, A.; Pesic, J.; Wang, A.; Scepanovic, M.; Abeykoon, A.M.M.; Milošević, M.V.; Petrovic, C.; Popovic, Z.V.; Hackl, R.
  Title Evolution of lattice, spin, and charge properties across the phase diagram of Fe1-xSx Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 106 Issue 9 Pages 094510-94519
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A Raman scattering study covering the entire substitution range of the FeSe1-xSx solid solution is presented. Data were taken as a function of sulfur concentration x for 0 <= x <= 1, of temperature and of scattering symmetry. All types of excitations including phonons, spins, and charges are analyzed in detail. It is observed that the energy and width of the iron-related B-1g phonon mode vary continuously across the entire range of sulfur substitution. The A(1g) chalcogenide mode disappears above x = 0.23 and reappears at a much higher energy for x = 0.69. In a similar way the spectral features appearing at finite doping in A(1g) symmetry vary discontinuously. The magnetic excitation centered at approximately 500 cm(-1) disappears above x = 0.23 where the A(1g) lattice excitations exhibit a discontinuous change in energy. The low-energy mode associated with fluctuations displays maximal intensity at the nematostructural transition and thus tracks the phase boundary.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000917933500004 Publication Date 2022-09-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.7
  Call Number UA @ admin @ c:irua:194397 Serial 7304
Permanent link to this record
 

 
Author Nulens, L.; Dausy, H.; Wyszynski, M.J.; Raes, B.; Van Bael, M.J.; Milošević, M.V.; Van de Vondel, J.
  Title Metastable states and hidden phase slips in nanobridge SQUIDs Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 106 Issue 13 Pages 134518-134519
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We fabricated an asymmetric nanoscale SQUID consisting of one nanobridge weak link and one Dayem bridge weak link. The current phase relation of these particular weak links is characterized by multivaluedness and linearity. While the latter is responsible for a particular magnetic field dependence of the critical current (so-called vorticity diamonds), the former enables the possibility of different vorticity states (phase winding numbers) existing at one magnetic field value. In experiments the observed critical current value is stochastic in nature, does not necessarily coincide with the current associated with the lowest energy state and critically depends on the measurement conditions. In this paper, we unravel the origin of the observed metastability as a result of the phase dynamics happening during the freezing process and while sweeping the current. Moreover, we employ special measurement protocols to prepare the desired vorticity state and identify the (hidden) phase slip dynamics ruling the detected state of these nanodevices. In order to gain insights into the dynamics of the condensate and, more specifically the hidden phase slips, we performed time-dependent Ginzburg-Landau simulations.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000904657300007 Publication Date 2022-10-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited 1 Open Access OpenAccess
  Notes Approved Most recent IF: 3.7
  Call Number UA @ admin @ c:irua:193393 Serial 7321
Permanent link to this record
 

 
Author Sanchez-Barriga, J.; Aguilera, I.; Yashina, L., V; Tsukanova, D.Y.; Freyse, F.; Chaika, A.N.; Callaert, C.; Abakumov, A.M.; Hadermann, J.; Varykhalov, A.; Rienks, E.D.L.; Bihlmayer, G.; Blugel, S.; Rader, O.
  Title Anomalous behavior of the electronic structure of (Bi1-xInx)2Se3across the quantum phase transition from topological to trivial insulator Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal
  Volume 98 Issue 23 Pages 235110
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Using spin- and angle-resolved photoemission spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi1-xInx)(2)Se-3)(2)Se-3 bulk single crystals around the critical point of the trivial to topological insulator quantum-phase transition. By increasing x, we observe how a surface gap opens at the Dirac point of the initially gapless topological surface state of Bi2Se3, leading to the existence of massive fermions. The surface gap monotonically increases for a wide range of x values across the topological and trivial sides of the quantum-phase transition. By means of photon-energy-dependent measurements, we demonstrate that the gapped surface state survives the inversion of the bulk bands which occurs at a critical point near x = 0.055. The surface state exhibits a nonzero in-plane spin polarization which decays exponentially with increasing x, and which persists in both the topological and trivial insulator phases. Our calculations reveal qualitative agreement with the experimental results all across the quantum-phase transition upon the systematic variation of the spin-orbit coupling strength. A non-time-reversal symmetry-breaking mechanism of bulk-mediated scattering processes that increase with decreasing spin-orbit coupling strength is proposed as explanation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000452322800003 Publication Date 2018-12-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:156240 Serial 7462
Permanent link to this record
 

 
Author Takatsu, H.; Hernandez, O.; Yoshimune, W.; Prestipino, C.; Yamamoto, T.; Tassel, C.; Kobayashi, Y.; Batuk, D.; Shibata, Y.; Abakumov, A.M.; Brown, C.M.; Kageyama, H.
  Title Cubic lead perovskite PbMoO3 with anomalous metallic behavior Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal
  Volume 95 Issue 15 Pages 155105
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A previously unreported Pb-based perovskite PbMoO3 is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the Pm3m cubic structure at room temperature, making it distinct from typical Pb-based perovskite oxides with a structural distortion. PbMoO3 exhibits a metallic behavior down to 0.1 K with an unusual T-sublinear dependence of the electrical resistivity. Moreover, a large specific heat is observed at low temperatures accompanied by a peak in C-P/T-3 around 10 K, in marked contrast to the isostructural metallic system SrMoO3. These transport and thermal properties for PbMoO3, taking into account anomalously large Pb atomic displacements detected through diffraction experiments, are attributed to a low-energy vibrational mode, associated with incoherent off-centering of lone-pair Pb2+ cations. We discuss the unusual behavior of the electrical resistivity in terms of a polaronlike conduction, mediated by the strong coupling between conduction electrons and optical phonons of the local low-energy vibrational mode.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000440605700001 Publication Date 2017-04-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:167288 Serial 7743
Permanent link to this record
 

 
Author Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Peeters, F.M.
  Title Electrostatically confined trilayer graphene quantum dots Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal
  Volume 95 Issue 15 Pages 155434
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry E-K(e) (m) = -E (h)(K') (m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number and K and K' label the two valleys. The electron and hole spectra for B = 0 are twofold degenerate due to the intervalley symmetry E-K (m) = E-K' [-(m + 1)]. For both ABC [alpha = 1.5 (1.2) for large (small) R] and ABA (alpha = 1) stackings, the lowest-energy levels show approximately a R-alpha dependence on the dot radius R in contrast with the 1/R-3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B, the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000399797200003 Publication Date 2017-04-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 6 Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:152652 Serial 7878
Permanent link to this record
 

 
Author Shayeganfar, F.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M.
  Title Monolayer alkali and transition-metal monoxides : MgO, CaO, MnO, and NiO Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal
  Volume 95 Issue 14 Pages 144109
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Two-dimensional crystals with strong interactions between layers has attracted increasing attention in recent years in a variety of fields. In particular, the growth of a single layer of oxide materials (e.g., MgO, CaO, NiO, and MnO) over metallic substrates were found to display different physical properties than their bulk. In this study, we report on the physical properties of a single layer of metallic oxide materials and compare their properties with their bulk and other two-dimensional (2D) crystals. We found that the planar structure of metallic monoxides are unstable whereas the buckled structures are thermodynamically stable. Also, the 2D-MnO and NiO exhibit different magnetic (ferromagnetic) and optical properties than their bulk, whereas band-gap energy and linear stiffness are found to be decreasing from NiO to MgO. Our findings provide insight into oxide thin-film technology applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000399792400001 Publication Date 2017-04-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 21 Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:152654 Serial 8278
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 (down) 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 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 (down) 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 Most recent IF: 3.7; 2023 IF: 3.836
  Call Number UA @ admin @ c:irua:197431 Serial 8822
Permanent link to this record
 

 
Author Linard, F.J.A.; Moura, V.N.; Covaci, L.; Milošević, M.V.; Chaves, A.
  Title Wave-packet scattering at a normal-superconductor interface in two-dimensional materials : a generalized theoretical approach Type A1 Journal article
  Year 2023 Publication Physical review B Abbreviated Journal
  Volume 107 Issue 16 Pages 165306-165309
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract A wave-packet time evolution method, based on the split-operator technique, is developed to investigate the scattering of quasiparticles at a normal-superconductor interface of arbitrary profile and shape. As a practical application, we consider a system where low-energy electrons can be described as Dirac particles, which is the case for most two-dimensional materials, such as graphene and transition-metal dichalcogenides. However, the method is easily adapted for other cases such as electrons in few-layer black phosphorus or any Schrodinger quasiparticles within the effective mass approximation in semiconductors. We employ the method to revisit Andreev reflection in mono-, bi-, and trilayer graphene, where specular-and retro-reflection cases are observed for electrons scattered by a steplike superconducting region. The effect of opening a zero-gap channel across the superconducting region on the electron and hole scattering is also addressed, as an example of the versatility of the technique proposed here.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000974675700006 Publication Date 2023-04-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.7; 2023 IF: 3.836
  Call Number UA @ admin @ c:irua:196709 Serial 8954
Permanent link to this record
 

 
Author Santos-Castro, G.; Pandey, T.; Bruno, C.H.V.; Santos Caetano, E.W.; Milošević, M.V.; Chaves, A.; Freire, V.N.
  Title Silicon and germanium adamantane and diamantane monolayers as two-dimensional anisotropic direct-gap semiconductors Type A1 Journal article
  Year 2023 Publication Physical review B Abbreviated Journal
  Volume 108 Issue 3 Pages 035302-35310
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Structural and electronic properties of silicon and germanium monolayers with two different diamondoid crystal structures are detailed ab initio. Our results show that, despite Si and Ge being well-known indirect gap semiconductors in their bulk form, their adamantane and diamantane monolayers can exhibit optically active direct gap in the visible frequency range, with highly anisotropic effective masses, depending on the monolayer crystal structure. Moreover, we reveal that gaps in these materials are highly tunable with applied strain. These stable monolayer forms of Si and Ge are therefore expected to help bridging the gap between the fast growing area of opto-electronics in two-dimensional materials and the established silicon-based technologies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001074455300012 Publication Date 2023-07-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited Open Access
  Notes Approved Most recent IF: 3.7; 2023 IF: 3.836
  Call Number UA @ admin @ c:irua:200348 Serial 9089
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 (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited 1 Open Access
  Notes Approved Most recent IF: 3.7; 2023 IF: 3.836
  Call Number UA @ admin @ c:irua:200356 Serial 9110
Permanent link to this record
 

 
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 (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited Open Access
  Notes Approved Most recent IF: 3.7; 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 (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited Open Access
  Notes Approved Most recent IF: 3.7; 2024 IF: 3.836
  Call Number UA @ admin @ c:irua:205491 Serial 9158
Permanent link to this record
 

 
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 (down) 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 Most recent IF: 3.7; 2024 IF: 3.836
  Call Number UA @ admin @ c:irua:204765 Serial 9177
Permanent link to this record
 

 
Author Zhang, L.; Fernández Becerra, V.; Covaci, L.; Milošević, M.V.
  Title Electronic properties of emergent topological defects in chiral p-wave superconductivity Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 94 Issue 94 Pages 024520
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Chiral p-wave superconductors in applied magnetic field can exhibit more complex topological defects than just conventional superconducting vortices, due to the two-component order parameter (OP) and the broken time-reversal symmetry. We investigate the electronic properties of those exotic states, some of which contain clusters of one-component vortices in chiral components of the OP and/or exhibit skyrmionic character in the relative OP space, all obtained as a self-consistent solution of the microscopic Bogoliubov-de Gennes equations. We reveal the link between the local density of states (LDOS) of the novel topological states and the behavior of the chiral domain wall between the OP components, enabling direct identification of those states in scanning tunneling microscopy. For example, a skyrmion always contains a closed chiral domain wall, which is found to be mapped exactly by zero-bias peaks in LDOS. Moreover, the LDOS exhibits electron-hole asymmetry, which is different from the LDOS of conventional vortex states with same vorticity. Finally, we present the magnetic field and temperature dependence of the properties of a skyrmion, indicating that this topological defect can be surprisingly large in size, and can be pinned by an artificially indented nonsuperconducting closed path in the sample. These features are expected to facilitate the experimental observation of skyrmionic states, thereby enabling experimental verification of chirality in emerging superconducting materials.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000381479500002 Publication Date 2016-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9969 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 27 Open Access
  Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:135742 Serial 4303
Permanent link to this record
 

 
Author Bacaksiz, C.; Cahangirov, S.; Rubio, A.; Senger, R.T.; Peeters, F.M.; Sahin, H.
  Title Bilayer SnS2 : tunable stacking sequence by charging and loading pressure Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 125403
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Employing density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS2, which is a recently synthesized monolayer metal dichalcogenide. Comparison of the 1H and 1T phases of monolayer SnS2 confirms the ground state to be the 1T phase. In its bilayer structure we examine different stacking configurations of the two layers. It is found that the interlayer coupling in bilayer SnS2 is weaker than that of typical transition-metal dichalcogenides so that alternative stacking orders have similar structural parameters and they are separated with low energy barriers. A possible signature of the stacking order in the SnS2 bilayer has been sought in the calculated absorbance and reflectivity spectra. We also study the effects of the external electric field, charging, and loading pressure on the characteristic properties of bilayer SnS2. It is found that (i) the electric field increases the coupling between the layers at its preferred stacking order, so the barrier height increases, (ii) the bang gap value can be tuned by the external E field and under sufficient E field, the bilayer SnS2 can become a semimetal, (iii) the most favorable stacking order can be switched by charging, and (iv) a loading pressure exceeding 3 GPa changes the stacking order. The E-field tunable band gap and easily tunable stacking sequence of SnS2 layers make this 2D crystal structure a good candidate for field effect transistor and nanoscale lubricant applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000371405000005 Publication Date 2016-03-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 38 Open Access
  Notes ; The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). C.B., H.S., and R.T.S. acknowledge support from TUBITAK Project No. 114F397. H.S. is supported by an FWO Pegasus Marie Curie Fellowship. S.C. and A.R. acknowledge financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF Project No. 628876, the European Research Council (ERC-2010-AdG-267374), and Spanish grant Grupos Consolidados (IT578-13). S.C. acknowledges support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 115F388. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:132345 Serial 4144
Permanent link to this record
 

 
Author Van der Donck, M.; Peeters, F.M.; Van Duppen, B.
  Title Comment on “Creating in-plane pseudomagnetic fields in excess of 1000 T by misoriented stacking in a graphene bilayer” Type Editorial
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 247401
  Keywords Editorial; Condensed Matter Theory (CMT)
  Abstract In a recent paper [Phys. Rev. B 89, 125418 (2014)], the authors argue that it is possible to map the electronic properties of twisted bilayer graphene to those of bilayer graphene in an in-plane magnetic field. However, their description of the low-energy dynamics of twisted bilayer graphene is restricted to the extended zone scheme and therefore neglects the effects of the superperiodic structure. If the energy spectrum is studied in the supercell Brillouin zone, we find that the comparison with an in-plane magnetic field fails because (i) the energy spectra of the two situations exhibit different symmetries and (ii) the low-energy spectra are very different.
  Address
  Corporate Author Thesis
  Publisher Amer physical soc Place of Publication College pk Editor
  Language Wos 000377802200009 Publication Date 2016-06-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 6 Open Access
  Notes ; ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:134601 Serial 4151
Permanent link to this record
 

 
Author Craco, L.; Carara, S.S.; da Silva Pereira, T.A.; Milošević, M.V.
  Title Electronic states in an atomistic carbon quantum dot patterned in graphene Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 155417
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We reveal the emergence of metallicKondo clouds in an atomistic carbon quantum dot, realized as a single-atom junction in a suitably patterned graphene nanoflake. Using density functional dynamical mean-field theory (DFDMFT) we show how correlation effects lead to striking features in the electronic structure of our device, and how those are enhanced by the electron-electron interactions when graphene is patterned at the atomistic scale. Our setup provides a well-controlled environment to understand the principles behind the orbital-selective Kondo physics and the interplay between orbital and spin degrees of freedom in carbon-based nanomaterials, which indicate new pathways for spintronics in atomically patterned graphene.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000373760900004 Publication Date 2016-04-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 6 Open Access
  Notes ; L.C.'s work is supported by CNPq (Proc. No. 307487/2014-8). Acknowledgment (L.C.) is also made to G. Seifert for discussions and the Department of Theoretical Chemistry at Technical University Dresden for hospitality. T.A.S.P. thanks PRONEX/CNPq/FAPEMAT 850109/2009 for financial support. M.V.M. acknowledges support from Research Foundation-Flanders (FWO), TOPBOF, and the CAPES-PVE program. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:133260 Serial 4171
Permanent link to this record
 

 
Author Mirzakhani, M.; Zarenia, M.; Ketabi, S.A.; da Costa, D.R.; Peeters, F.M.
  Title Energy levels of hybrid monolayer-bilayer graphene quantum dots Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 165410
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000373572700004 Publication Date 2016-04-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 26 Open Access
  Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO)-CNPq project between Flanders and Brazil and the Brazilian Science Without Borders program. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:133261 Serial 4174
Permanent link to this record
 

 
Author da Costa; Zarenia, M.; Chaves, A.; Pereira, J.M., Jr.; Farias, G.A.; Peeters, F.M.
  Title Hexagonal-shaped monolayer-bilayer quantum disks in graphene : a tight-binding approach Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 94 Issue 94 Pages 035415
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using the tight-binding approach, we investigate confined states in two different hybrid monolayer-bilayer systems: (i) a hexagonal monolayer area surrounded by bilayer graphene in the presence of a perpendicularly applied electric field and (ii) a hexagonal bilayer graphene dot surrounded by monolayer graphene. The dependence of the energy levels on dot size and external magnetic field is calculated. We find that the energy spectrum for quantum dots with zigzag edges consists of states inside the gap which range from dot-localized states, edge states, to mixed states coexisting together, whereas for dots with armchair edges, only dot-localized states are observed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000379502200008 Publication Date 2016-07-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 11 Open Access
  Notes ; This work was financially supported by CNPq, under contract NanoBioEstruturas No. 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation, under the process No. BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, the Brazilian Program Science Without Borders (CsF), and the Lemann Foundation. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:134947 Serial 4190
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