|   | 
Details
   web
Records
Author Chaves, A.; Covaci, L.; Rakhimov, K.Y.; Farias, G.A.; Peeters, F.M.
Title Wave-packet dynamics and valley filter in strained graphene Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue 20 Pages 205430
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) The time evolution of a wave packet in strained graphene is studied within the tight-binding model and continuum model. The effect of an external magnetic field, as well as a strain-induced pseudomagnetic field, on the wave-packet trajectories and zitterbewegung are analyzed. Combining the effects of strain with those of an external magnetic field produces an effective magnetic field which is large in one of the Dirac cones, but can be practically zero in the other. We construct an efficient valley filter, where for a propagating incoming wave packet consisting of momenta around the K and K' Dirac points, the outgoing wave packet exhibits momenta in only one of these Dirac points while the components of the packet that belong to the other Dirac point are reflected due to the Lorentz force. We also found that the zitterbewegung is permanent in time in the presence of either external or strain-induced magnetic fields, but when both the external and strain-induced magnetic fields are present, the zitterbewegung is transient in one of the Dirac cones, whereas in the other cone the wave packet exhibits permanent spatial oscillations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000284401600007 Publication Date 2010-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 95 Open Access
Notes ; This work was financially supported by CNPq under NanoBioEstruturas Contract No. 555183/2005-0, PRONEX/CNPq/FUNCAP, CAPES, the Bilateral program between Flanders and Brazil, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1) ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:95542 Serial 3905
Permanent link to this record
 

 
Author Lavor, I.R.; da Costa, D.R.; Chaves, A.; Sena, S.H.R.; Farias, G.A.; Van Duppen, B.; Peeters, F.M.
Title Effect of zitterbewegung on the propagation of wave packets in ABC-stacked multilayer graphene : an analytical and computational approach Type A1 Journal article
Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 33 Issue 9 Pages 095503
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) The time evolution of a low-energy two-dimensional Gaussian wave packet in ABC-stacked n-layer graphene (ABC-NLG) is investigated. Expectation values of the position (x, y) of center-of-mass and the total probability densities of the wave packet are calculated analytically using the Green's function method. These results are confirmed using an alternative numerical method based on the split-operator technique within the Dirac approach for ABC-NLG, which additionally allows to include external fields and potentials. The main features of the zitterbewegung (trembling motion) of wave packets in graphene are demonstrated and are found to depend not only on the wave packet width and initial pseudospin polarization, but also on the number of layers. Moreover, the analytical and numerical methods proposed here allow to investigate wave packet dynamics in graphene systems with an arbitrary number of layers and arbitrary potential landscapes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000599465000001 Publication Date 2020-11-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 5 Open Access OpenAccess
Notes ; Discussions with D J P de Sousa and J M Pereira Jr are gratefully acknowledged. This work was financially supported by the Brazilian Council for Research (CNPq), under the PQ and PRONEX/FUNCAP programs, and by CAPES. One of us (BVD) is supported by the FWO-Vl. DRC is supported by CNPq Grant Nos. 310019/2018-4 and 437067/2018-1. ; Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:174953 Serial 6687
Permanent link to this record
 

 
Author Scolfaro, D.; Finamor, M.; Trinchao, L.O.; Rosa, B.L.T.; Chaves, A.; Santos, P., V.; Iikawa, F.; Couto, O.D.D., Jr.
Title Acoustically driven stark effect in transition metal dichalcogenide monolayers Type A1 Journal article
Year 2021 Publication Acs Nano Abbreviated Journal Acs Nano
Volume 15 Issue 9 Pages 15371-15380
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) The Stark effect is one of the most efficient mechanisms to manipulate many-body states in nanostructured systems. In mono- and few-layer transition metal dichalcogenides, it has been successfully induced by optical and electric field means. Here, we tune the optical emission energies and dissociate excitonic states in MoSe2 monolayers employing the 220 MHz in-plane piezoelectric field carried by surface acoustic waves. We transfer the monolayers to high dielectric constant piezoelectric substrates, where the neutral exciton binding energy is reduced, allowing us to efficiently quench (above 90%) and red-shift the excitonic optical emissions. A model for the acoustically induced Stark effect yields neutral exciton and trion in-plane polarizabilities of 530 and 630 x 10(-5) meV/(kV/cm)(2), respectively, which are considerably larger than those reported for monolayers encapsulated in hexagonal boron nitride. Large in-plane polarizabilities are an attractive ingredient to manipulate and modulate multiexciton interactions in two-dimensional semiconductor nanostructures for optoelectronic applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000703553600129 Publication Date 2021-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 13.942
Call Number UA @ admin @ c:irua:182545 Serial 7415
Permanent link to this record
 

 
Author Chaves, A.; Farias, G.A.; Peeters, F.M.; Ferreira, R.
Title The Split-operator technique for the study of spinorial wavepacket dynamics Type A1 Journal article
Year 2015 Publication Communications in computational physics Abbreviated Journal Commun Comput Phys
Volume 17 Issue 17 Pages 850-866
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagatingwave functions describing Schrodinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000353695400010 Publication Date 2015-03-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1815-2406;1991-7120; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.004 Times cited 24 Open Access
Notes ; The authors gratefully acknowledge fruitful discussions with J. M. Pereira Jr. and R. N. Costa Filho. This work was financially supported by CNPq through the INCT-NanoBioSimes and the Science Without Borders programs (contract 402955/ 2012-9), PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.004; 2015 IF: 1.943
Call Number c:irua:126028 Serial 3593
Permanent link to this record
 

 
Author Lee, Y.; Forte, J.D.'arf S.; Chaves, A.; Kumar, A.; Tran, T.T.; Kim, Y.; Roy, S.; Taniguchi, T.; Watanabe, K.; Chernikov, A.; Jang, J.I.; Low, T.; Kim, J.
Title Boosting quantum yields in two-dimensional semiconductors via proximal metal plates Type A1 Journal article
Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun
Volume 12 Issue 1 Pages 7095
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) The short exciton lifetime and strong exciton-exciton interaction in transition metal dichalcogenides limit the efficiency of exciton emission. Here, the authors show that exciton-exciton interaction in monolayer WS2 can be screened using proximal metal plates, leading to an improved quantum yield. Monolayer transition metal dichalcogenides (1L-TMDs) have tremendous potential as atomically thin, direct bandgap semiconductors that can be used as convenient building blocks for quantum photonic devices. However, the short exciton lifetime due to the defect traps and the strong exciton-exciton interaction in TMDs has significantly limited the efficiency of exciton emission from this class of materials. Here, we show that exciton-exciton interaction in 1L-WS2 can be effectively screened using an ultra-flat Au film substrate separated by multilayers of hexagonal boron nitride. Under this geometry, induced dipolar exciton-exciton interaction becomes quadrupole-quadrupole interaction because of effective image dipoles formed within the metal. The suppressed exciton-exciton interaction leads to a significantly improved quantum yield by an order of magnitude, which is also accompanied by a reduction in the exciton-exciton annihilation (EEA) rate, as confirmed by time-resolved optical measurements. A theoretical model accounting for the screening of the dipole-dipole interaction is in a good agreement with the dependence of EEA on exciton densities. Our results suggest that fundamental EEA processes in the TMD can be engineered through proximal metallic screening, which represents a practical approach towards high-efficiency 2D light emitters.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000728559600014 Publication Date 2021-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 12.124
Call Number UA @ admin @ c:irua:184870 Serial 7566
Permanent link to this record
 

 
Author da Costa, D.R.; Chaves, A.; Farias, G.A.; Covaci, L.; Peeters, F.M.
Title Wave-packet scattering on graphene edges in the presence of a pseudomagnetic field Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 11 Pages 115434
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) The scattering of a Gaussian wave packet in armchair and zigzag graphene edges is theoretically investigated by numerically solving the time-dependent Schrodinger equation for the tight-binding model Hamiltonian. Our theory allows us to investigate scattering in reciprocal space, and depending on the type of graphene edge we observe scattering within the same valley, or between different valleys. In the presence of an external magnetic field, the well-known skipping orbits are observed. However, our results demonstrate that in the case of a pseudomagnetic field, induced by nonuniform strain, the scattering by an armchair edge results in a nonpropagating edge state.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000309174100005 Publication Date 2012-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 28 Open Access
Notes ; Discussions with E. B. Barros are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq), the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE (project CONGRAN), and the bilateral program between Flanders and Brazil. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:101833 Serial 3907
Permanent link to this record
 

 
Author Cavalcante, L.S.R.; Chaves, A.; Van Duppen, B.; Peeters, F.M.; Reichman, D.R.
Title Electrostatics of electron-hole interactions in van der Waals heterostructures Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 97 Issue 12 Pages 125427
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000427983700007 Publication Date 2018-03-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 22 Open Access
Notes Discussions with A. Chernikov and A. Raja are gratefully acknowledged. This work has been financially supported by CNPq, through the PRONEX/FUNCAP, PQ, and Science Without Borders programs, and the FWO-CNPq bilateral program between Brazil and Flanders. B.V.D. acknowledges support from the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. D.R.R. was supported by NSF CHE-1464802. Approved Most recent IF: 3.836
Call Number CMT @ cmt @c:irua:150835UA @ admin @ c:irua:150835 Serial 4953
Permanent link to this record
 

 
Author Gjerding, M.N.; Cavalcante, L.S.R.; Chaves, A.; Thygesen, K.S.
Title Efficient Ab initio modeling of dielectric screening in 2D van der Waals materials : including phonons, substrates, and doping Type A1 Journal article
Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume 124 Issue 21 Pages 11609-11616
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) The quantum electrostatic heterostructure (QEH) model allows for efficient computation of the dielectric screening properties of layered van der Waals (vdW)-bonded heterostructures in terms of the dielectric functions of the individual two-dimensional (2D) layers. Here, we extend the QEH model by including (1) contributions to the dielectric function from infrared active phonons in the 2D layers, (2) screening from homogeneous bulk substrates, and (3) intraband screening from free carriers in doped 2D semiconductor layers. We demonstrate the potential of the extended QEH model by calculating the dispersion of coupled phonons in multilayer stacks of hexagonal boron-nitride (hBN), the strong hybridization of plasmons and optical phonons in graphene/hBN heterostructures, the effect of substrate screening on the exciton series of monolayer MoS2, and the properties of hyperbolic plasmons in a doped phosphorene sheet. The new QEH code is distributed as a Python package with a simple command line interface and a comprehensive library of dielectric building blocks for the most common 2D materials, providing an efficient open platform for dielectric modeling of realistic vdW heterostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000614615900022 Publication Date 2020-05-04
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 Open Access
Notes Approved Most recent IF: 3.7; 2020 IF: 4.536
Call Number UA @ admin @ c:irua:176187 Serial 7852
Permanent link to this record
 

 
Author Chaves, A.; Neilson, D.
Title Exotic state seen at high temperatures Type Editorial
Year 2019 Publication Nature Abbreviated Journal Nature
Volume 574 Issue 7776 Pages 39-40
Keywords Editorial; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) The phenomenon of Bose-Einstein condensation is typically limited to extremely low temperatures. The effect has now been spotted at much higher temperatures for particles called excitons in atomically thin semiconductors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000488832500022 Publication Date 2019-10-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0028-0836 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 40.137 Times cited 2 Open Access
Notes ; ; Approved Most recent IF: 40.137
Call Number UA @ admin @ c:irua:163739 Serial 5413
Permanent link to this record
 

 
Author Lavor, I.R.; da Costa, D.R.; Covaci, L.; Milošević, M.V.; Peeters, F.M.; Chaves, A.
Title Zitterbewegung of moiré excitons in twisted MoS₂/WSe₂ heterobilayers Type A1 Journal article
Year 2021 Publication Physical review letters Abbreviated Journal
Volume 127 Issue 10 Pages 106801
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract (down) The moire pattern observed in stacked noncommensurate crystal lattices, such as heterobilayers of transition metal dichalcogenides, produces a periodic modulation of their band gap. Excitons subjected to this potential landscape exhibit a band structure that gives rise to a quasiparticle dubbed the moire exciton. In the case of MoS2/WSe2 heterobilayers, the moire trapping potential has honeycomb symmetry and, consequently, the moire exciton band structure is the same as that of a Dirac-Weyl fermion, whose mass can be further tuned down to zero with a perpendicularly applied field. Here we show that, analogously to other Dirac-like particles, the moire exciton exhibits a trembling motion, also known as Zitterbewegung, whose long timescales are compatible with current experimental techniques for exciton dynamics. This promotes the study of the dynamics of moire excitons in van der Waals heterostructures as an advantageous solid-state platform to probe Zitterbewegung, broadly tunable by gating and interlayer twist angle.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000692200800020 Publication Date 2021-08-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1079-7114 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 5 Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:181599 Serial 6896
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 (down) 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 Most recent IF: 3.7; 2024 IF: 3.836
Call Number UA @ admin @ c:irua:205491 Serial 9158
Permanent link to this record
 

 
Author da Costa, D.R.; Chaves, A.; Farias, G.A.; Peeters, F.M.
Title Valley filtering in graphene due to substrate-induced mass potential Type A1 Journal article
Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 29 Issue 21 Pages 215502
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) The interaction of monolayer graphene with specific substrates may break its sublattice symmetry and results in unidirectional chiral states with opposite group velocities in the different Dirac cones (Zarenia et al 2012 Phys. Rev. B 86 085451). Taking advantage of this feature, we propose a valley filter based on a transversal mass kink for low energy electrons in graphene, which is obtained by assuming a defect region in the substrate that provides a change in the sign of the substrate-induced mass and thus creates a non-biased channel, perpendicular to the kink, for electron motion. By solving the time-dependent Schrodinger equation for the tight-binding Hamiltonian, we investigate the time evolution of a Gaussian wave packet propagating through such a system and obtain the transport properties of this graphene-based substrate-induced quantum point contact. Our results demonstrate that efficient valley filtering can be obtained, provided: (i) the electron energy is sufficiently low, i.e. with electrons belonging mostly to the lowest sub-band of the channel, and (ii) the channel length (width) is sufficiently long (narrow). Moreover, even though the transmission probabilities for each valley are significantly affected by impurities and defects in the channel region, the valley polarization in this system is shown to be robust against their presence.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000400092700002 Publication Date 2017-04-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 15 Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:152636 Serial 8730
Permanent link to this record
 

 
Author Xiang, F.; Gupta, A.; Chaves, A.; Krix, Z.E.; Watanabe, K.; Taniguchi, T.; Fuhrer, M.S.; Peeters, F.M.; Neilson, D.; Milošević, M.V.; Hamilton, A.R.
Title Intra-zero-energy Landau level crossings in bilayer graphene at high electric fields Type A1 Journal article
Year 2023 Publication Nano letters Abbreviated Journal
Volume 23 Issue 21 Pages 9683-9689
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) The highly tunable band structure of the zero-energy Landau level (zLL) of bilayer graphene makes it an ideal platform for engineering novel quantum states. However, the zero-energy Landau level at high electric fields has remained largely unexplored. Here we present magnetotransport measurements of bilayer graphene in high transverse electric fields. We observe previously undetected Landau level crossings at filling factors nu = -2, 1, and 3 at high electric fields. These crossings provide constraints for theoretical models of the zero-energy Landau level and show that the orbital, valley, and spin character of the quantum Hall states at high electric fields is very different from low electric fields. At high E, new transitions between states at nu = -2 with different orbital and spin polarization can be controlled by the gate bias, while the transitions between nu = 0 -> 1 and nu = 2 -> 3 show anomalous behavior.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001102148900001 Publication Date 2023-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record
Impact Factor 10.8 Times cited 1 Open Access
Notes Approved Most recent IF: 10.8; 2023 IF: 12.712
Call Number UA @ admin @ c:irua:201200 Serial 9052
Permanent link to this record
 

 
Author Lavor, I.R.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Macedo, R.; Peeters, F.M.
Title Magnetic field induced vortices in graphene quantum dots Type A1 Journal article
Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 32 Issue 15 Pages 155501
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) The energy spectrum and local current patterns in graphene quantum dots (QD) are investigated for different geometries in the presence of an external perpendicular magnetic field. Our results demonstrate that, for specific geometries and edge configurations, the QD exhibits vortex and anti-vortex patterns in the local current density, in close analogy to the vortex patterns observed in the probability density current of semiconductor QD, as well as in the order parameter of mesoscopic superconductors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000520149200001 Publication Date 2019-12-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited 5 Open Access
Notes ; This work was financially supported by the CAPES foundation and CNPq (Science Without Borders, PQ and FUNCAP/PRONEX programs). ; Approved Most recent IF: 2.7; 2020 IF: 2.649
Call Number UA @ admin @ c:irua:167670 Serial 6558
Permanent link to this record
 

 
Author Tran, T.T.; Lee, Y.; Roy, S.; Tran, T.U.; Kim, Y.; Taniguchi, T.; Watanabe, K.; Milošević, M.V.; Lim, S.C.; Chaves, A.; Jang, J.I.; Kim, J.
Title Synergetic enhancement of quantum yield and exciton lifetime of monolayer WS₂ by proximal metal plate and negative electric bias Type A1 Journal article
Year 2023 Publication ACS nano Abbreviated Journal
Volume 18 Issue 1 Pages 220-228
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) The efficiency of light emission is a critical performance factor for monolayer transition metal dichalcogenides (1L-TMDs) for photonic applications. While various methods have been studied to compensate for lattice defects to improve the quantum yield (QY) of 1L-TMDs, exciton-exciton annihilation (EEA) is still a major nonradiative decay channel for excitons at high exciton densities. Here, we demonstrate that the combined use of a proximal Au plate and a negative electric gate bias (NEGB) for 1L-WS2 provides a dramatic enhancement of the exciton lifetime at high exciton densities with the corresponding QY enhanced by 30 times and the EEA rate constant decreased by 80 times. The suppression of EEA by NEGB is attributed to the reduction of the defect-assisted EEA process, which we also explain with our theoretical model. Our results provide a synergetic solution to cope with EEA to realize high-intensity 2D light emitters using TMDs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001139516800001 Publication Date 2023-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record
Impact Factor 17.1 Times cited Open Access
Notes Approved Most recent IF: 17.1; 2023 IF: 13.942
Call Number UA @ admin @ c:irua:202811 Serial 9101
Permanent link to this record
 

 
Author de Sousa, G.O.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Peeters, F.M.
Title Unusual quantum confined Stark effect and Aharonov-Bohm oscillations in semiconductor quantum rings with anisotropic effective masses Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 95 Issue 95 Pages 205414
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) The effects of external electric and magnetic fields on the energy spectrum of quantum rings made out of a bidimensional semiconductor material with anisotropic band structures are investigated within the effective-mass model. The interplay between the effective-mass anisotropy and the radial confinement leads to wave functions that are strongly localized at two diametrically opposite regions where the kinetic energy is lowest due to the highest effective mass. We show that this quantum phenomenon has clear consequences on the behavior of the energy states in the presence of applied in-plane electric fields and out-of-plane magnetic fields. In the former, the quantum confined Stark effect is observed with either linear or quadratic shifts, depending on the direction of the applied field. As for the latter, the usual Aharonov-Bohm oscillations are not observed for a circularly symmetric confining potential, however they can be reinstated if an elliptic ring with an appropriate aspect ratio is chosen.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000401230600007 Publication Date 2017-05-12
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 19 Open Access
Notes ; This work was financially supported by CNPq under the PRONEX/FUNCAP grants, CAPES Foundation, the Flemish Science Foundation (FWO-Vl), and the Brazilian Program Science Without Borders (CsF). ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:143746 Serial 4610
Permanent link to this record
 

 
Author Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M.
Title Energy levels of triangular and hexagonal graphene quantum dots : a comparative study between the tight-binding and Dirac equation approach Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 24 Pages 245403-245403,12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) The Dirac equation is solved for triangular and hexagonal graphene quantum dots for different boundary conditions in the presence of a perpendicular magnetic field. We analyze the influence of the dot size and its geometry on their energy spectrum. A comparison between the results obtained for graphene dots with zigzag and armchair edges, as well as for infinite-mass boundary condition, is presented and our results show that the type of graphene dot edge and the choice of the appropriate boundary conditions have a very important influence on the energy spectrum. The single-particle energy levels are calculated as a function of an external perpendicular magnetic field that lifts degeneracies. Comparing the energy spectra obtained from the tight-binding approximation to those obtained from the continuum Dirac equation approach, we verify that the behavior of the energies as a function of the dot size or the applied magnetic field are qualitatively similar, but in some cases quantitative differences can exist.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000297767800008 Publication Date 2011-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 145 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE (project CONGRAN), the Bilateral program between Flanders and Brazil, CAPES and the Brazilian Council for Research (CNPq). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:93961 Serial 1040
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 (down) 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 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 Chaves, A.; Azadani, J.G.; Alsalman, H.; da Costa, D.R.; Frisenda, R.; Chaves, A.J.; Song, S.H.; Kim, Y.D.; He, D.; Zhou, J.; Castellanos-Gomez, A.; Peeters, F.M.; Liu, Z.; Hinkle, C.L.; Oh, S.-H.; Ye, P.D.; Koester, S.J.; Lee, Y.H.; Avouris, P.; Wang, X.; Low, T.
Title Bandgap engineering of two-dimensional semiconductor materials Type A1 Journal article
Year 2020 Publication npj 2D Materials and Applications Abbreviated Journal
Volume 4 Issue 1 Pages 29-21
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) Semiconductors are the basis of many vital technologies such as electronics, computing, communications, optoelectronics, and sensing. Modern semiconductor technology can trace its origins to the invention of the point contact transistor in 1947. This demonstration paved the way for the development of discrete and integrated semiconductor devices and circuits that has helped to build a modern society where semiconductors are ubiquitous components of everyday life. A key property that determines the semiconductor electrical and optical properties is the bandgap. Beyond graphene, recently discovered two-dimensional (2D) materials possess semiconducting bandgaps ranging from the terahertz and mid-infrared in bilayer graphene and black phosphorus, visible in transition metal dichalcogenides, to the ultraviolet in hexagonal boron nitride. In particular, these 2D materials were demonstrated to exhibit highly tunable bandgaps, achieved via the control of layers number, heterostructuring, strain engineering, chemical doping, alloying, intercalation, substrate engineering, as well as an external electric field. We provide a review of the basic physical principles of these various techniques on the engineering of quasi-particle and optical bandgaps, their bandgap tunability, potentials and limitations in practical realization in future 2D device technologies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000565588500001 Publication Date 2020-08-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2397-7132 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 604 Open Access
Notes ; Discussions and interactions with D.R. Reichman, F. Tavazza, N.M.R. Peres, and K. Choudhary are gratefully acknowledged. A.C. acknowledges financial support by CNPq, through the PRONEX/FUNCAP and PQ programs. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement No. 755655, ERCStG 2017 project 2D-TOPSENSE). Computational support from the Minnesota Supercomputing Institute (MSI) and EU Graphene Flagship funding (Grant Graphene Core 2, 785219) is acknowledged. R.F. acknowledges support from the Netherlands Organization for Scientific Research (NWO) through the research program Rubicon with project number 680-50-1515. D.H., J.Z., and X.W. acknowledge support by National Natural Science Foundation of China 61734003, 61521001, 61704073, 51861145202, and 61851401, and National Key Basic Research Program of China 2015CB921600 and 2018YFB2200500. J.Z. and Z.L. acknowledge support by RG7/18, MOE2017-T2-2-136, MOE2018-T3-1-002, and A*Star QTE program. S.H.S. and Y.H.L. acknowledge the support from IBS-R011-D1. Y.D.K. is supported by Samsung Research and Incubation Funding Center of Samsung Electronics under Project Number SRFC-TB1803-04. S.J.K acknowledges financial support by the National Science Foundation (NSF), under award DMR-1921629. T.L. and J.G.A. acknowledge funding support from NSF/DMREF under Grant Agreement No. 1921629. S.-H.O. acknowledges support from the U.S. National Science Foundation (NSF ECCS 1809723) and Samsung Global Research Outreach (GRO) project. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:172069 Serial 6459
Permanent link to this record
 

 
Author Curran, P.J.; Desoky, W.M.; Milošević, M.V.; Chaves, A.; Laloe, J.-B.; Moodera, J.S.; Bending, S.J.
Title Spontaneous symmetry breaking in vortex systems with two repulsive lengthscales Type A1 Journal article
Year 2015 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 5 Issue 5 Pages 15569
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) Scanning Hall probe microscopy (SHPM) has been used to study vortex structures in thin epitaxial films of the superconductor MgB2. Unusual vortex patterns observed in MgB2 single crystals have previously been attributed to a competition between short-range repulsive and long-range attractive vortex-vortex interactions in this two band superconductor; the type 1.5 superconductivity scenario. Our films have much higher levels of disorder than bulk single crystals and therefore both superconducting condensates are expected to be pushed deep into the type 2 regime with purely repulsive vortex interactions. We observe broken symmetry vortex patterns at low fields in all samples after field-cooling from above T-c. These are consistent with those seen in systems with competing repulsions on disparate length scales, and remarkably similar structures are reproduced in dirty two band Ginzburg-Landau calculations, where the simulation parameters have been defined by experimental observations. This suggests that in our dirty MgB2 films, the symmetry of the vortex structures is broken by the presence of vortex repulsions with two different lengthscales, originating from the two distinct superconducting condensates. This represents an entirely new mechanism for spontaneous symmetry breaking in systems of superconducting vortices, with important implications for pinning phenomena and high current density applications.
Address
Corporate Author Thesis
Publisher Nature Publishing Group Place of Publication London Editor
Language Wos 000363306000002 Publication Date 2015-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 12 Open Access
Notes ; P.J.C. and S.J.B. acknowledge support from EPSRC in the UK under grant number EP/J010626/1 and the NanoSC COST Action MP-1201. M.V.M. thanks the Research Foundation-Flanders (FWO) and CAPES Brazil. A.C. acknowledges the financial support of CNPq, under the PRONEX/FUNCAP and PQ programs. J.-B.L. and J.S.M. acknowledge ONR Grant N00014-06-01-0235. ; Approved Most recent IF: 4.259; 2015 IF: 5.578
Call Number UA @ lucian @ c:irua:129450 Serial 4248
Permanent link to this record
 

 
Author Chaves, A.; Sousa, G.O.; Khaliji, K.; da Costa, D.R.; Farias, G.A.; Low, T.
Title Signatures of subband excitons in few-layer black phosphorus Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue 16 Pages 165428
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) Recent experimental measurements of light absorption in few-layer black phosphorus (BP) revealed a series of high and sharp peaks, interspersed by pairs of lower and broader features. Here, we propose a theoretical model for these excitonic states in few-layer BP within a continuum approach for the in-plane degrees of freedom and a tight-binding approximation that accounts for interlayer couplings. This yields excitonic transitions between different combinations of the subbands created by the coupled BP layers, which leads to a series of high and low oscillator strength excitonic states, consistent with the experimentally observed bright and dark exciton peaks, respectively. The main characteristics of such subband exciton states, as well as the possibility to control their energies and oscillator strengths via applied electric and magnetic fields, are discussed, towards a full understanding of the excitonic spectrum of few-layer BP and its tunability.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000647175200002 Publication Date 2021-04-28
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 3.836 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:178384 Serial 8523
Permanent link to this record
 

 
Author da Costa, D.R.; Chaves, A.; Sena, S.H.R.; Farias, G.A.; Peeters, F.M.
Title Valley filtering using electrostatic potentials in bilayer graphene Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 045417
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) Propagation of an electron wave packet through a quantum point contact (QPC) defined by electrostatic gates in bilayer graphene is investigated. The gates provide a bias between the layers, in order to produce an energy gap. If the gates on both sides of the contact produce the same bias, steps in the electron transmission probability are observed, as in the usual QPC. However, if the bias is inverted on one of the sides of the QPC, only electrons belonging to one of the Dirac valleys are allowed to pass, which provides a very efficient valley filtering.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000358253200009 Publication Date 2015-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 47 Open Access
Notes ; This work was financially supported by CNPq, under PNPD and PRONEX/FUNCAP grants; the CAPES Foundation under ProcessNo. BEX7178/13-1; the Bilateral programme between Flanders and Brazil; the Flemish Science Foundation (FWOVl); and the Brazilian program Science Without Borders (CsF). ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:127152 Serial 3833
Permanent link to this record
 

 
Author Blundo, E.; Faria, P.E., Jr.; Surrente, A.; Pettinari, G.; Prosnikov, M.A.; Olkowska-Pucko, K.; Zollner, K.; Wozniak, T.; Chaves, A.; Kazimierczuk, T.; Felici, M.; Babinski, A.; Molas, M.R.; Christianen, P.C.M.; Fabian, J.; Polimeni, A.
Title Strain-Induced Exciton Hybridization in WS2 Monolayers Unveiled by Zeeman-Splitting Measurements Type A1 Journal article
Year 2022 Publication Physical review letters Abbreviated Journal
Volume 129 Issue 6 Pages 067402
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) Mechanical deformations and ensuing strain are routinely exploited to tune the band gap energy and to enhance the functionalities of two-dimensional crystals. In this Letter, we show that strain leads also to a strong modification of the exciton magnetic moment in WS2 monolayers. Zeeman-splitting measurements under magnetic fields up to 28.5 T were performed on single, one-layer-thick WS2 microbubbles. The strain of the bubbles causes a hybridization of k-space direct and indirect excitons resulting in a sizable decrease in the modulus of they factor of the ground-state exciton. These findings indicate that strain may have major effects on the way the valley number of excitons can be used to process binary information in two-dimensional crystals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000842367600007 Publication Date 2022-08-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007; 1079-7114 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved no
Call Number UA @ admin @ c:irua:198538 Serial 8936
Permanent link to this record
 

 
Author Wang, F.; Wang, C.; Chaves, A.; Song, C.; Zhang, G.; Huang, S.; Lei, Y.; Xing, Q.; Mu, L.; Xie, Y.; Yan, H.
Title Prediction of hyperbolic exciton-polaritons in monolayer black phosphorus Type A1 Journal article
Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun
Volume 12 Issue 1 Pages 5628
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) Hyperbolic polaritons exhibit large photonic density of states and can be collimated in certain propagation directions. The majority of hyperbolic polaritons are sustained in man-made metamaterials. However, natural-occurring hyperbolic materials also exist. Particularly, natural in-plane hyperbolic polaritons in layered materials have been demonstrated in MoO3 and WTe2, which are based on phonon and plasmon resonances respectively. Here, by determining the anisotropic optical conductivity (dielectric function) through optical spectroscopy, we predict that monolayer black phosphorus naturally hosts hyperbolic exciton-polaritons due to the pronounced in-plane anisotropy and strong exciton resonances. We simultaneously observe a strong and sharp ground state exciton peak and weaker excited states in high quality monolayer samples in the reflection spectrum, which enables us to determine the exciton binding energy of similar to 452 meV. Our work provides another appealing platform for the in-plane natural hyperbolic polaritons, which is based on excitons rather than phonons or plasmons.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000698984500003 Publication Date 2021-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 12.124
Call Number UA @ admin @ c:irua:191688 Serial 8404
Permanent link to this record
 

 
Author Kahraman, Z.; Baskurt, M.; Yagmurcukardes, M.; Chaves, A.; Sahin, H.
Title Stable Janus TaSe₂ single-layers via surface functionalization Type A1 Journal article
Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci
Volume 538 Issue Pages 148064
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) First-principles calculations are performed in order to investigate the formation of Janus structures of single layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2), and the one-side hydrogenated and one-side fluorinated (Janus-HTaSe2F) single-layers are feasible in terms of their phonon band dispersions. It is shown that bare metallic single-layer TaSe2 can be turned into a semiconductor as only one of its surface is functionalized while it remains as a metal via its two surfaces functionalization. In addition, the semiconducting nature of single-layers HTaSe2 and FTaSe2 and the metallic behavior of Janus TaSe2 are found to be robust under applied uniaxal strains. Further analysis on piezoelectric properties of the predicted single-layers reveal the enhanced in-plane and out of-plane piezoelectricity via formed Janus-HTaSe2F. Our study indicates that single-layer TaSe2 is a suitable host material for surface functionalization via fluorination and hydrogenation which exhibit distinctive electronic and vibrational properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000595860900001 Publication Date 2020-10-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.387 Times cited Open Access Not_Open_Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). HS acknowledges support from Turkiye Bilimler Akademisi -Turkish Academy of Sciences under the GEBIP program. This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 3.387
Call Number UA @ admin @ c:irua:174964 Serial 6699
Permanent link to this record
 

 
Author Wozniak, T.; Faria, P.E., Jr.; Seifert, G.; Chaves, A.; Kunstmann, J.
Title Exciton g factors of van der Waals heterostructures from first-principles calculations Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue 23 Pages 235408-235411
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) External fields are a powerful tool to probe optical excitations in a material. The linear energy shift of an excitation in a magnetic field is quantified by its effective g factor. Here we show how exciton g factors and their sign can be determined by converged first-principles calculations. We apply the method to monolayer excitons in semiconducting transition metal dichalcogenides and to interlayer excitons in MoSe2/WSe2 heterobilayers and obtain good agreement with recent experimental data. The precision of our method allows us to assign measured g factors of optical peaks to specific transitions in the band structure and also to specific regions of the samples. This revealed the nature of various, previously measured interlayer exciton peaks. We further show that, due to specific optical selection rules, g factors in van der Waals heterostructures are strongly spin and stacking-dependent. The calculation of orbital angular momenta requires the summation over hundreds of bands, indicating that for the considered two-dimensional materials the basis set size is a critical numerical issue. The presented approach can potentially be applied to a wide variety of semiconductors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000537315100009 Publication Date 2020-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited Open Access
Notes Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:170219 Serial 7944
Permanent link to this record
 

 
Author Chaves, A.; Peeters, F.M.
Title Tunable effective masses of magneto-excitons in two-dimensional materials Type A1 Journal article
Year 2021 Publication Solid State Communications Abbreviated Journal Solid State Commun
Volume 334 Issue Pages 114371
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) Excitonic properties of Ge2H2 and Sn2H2, also known as Xanes, are investigated within the effective mass model. A perpendicularly applied magnetic field induces a negative shift on the exciton center-of-mass kinetic energy that is approximately quadratic with its momentum, thus pushing down the exciton dispersion curve and flattening it. This can be interpreted as an increase in the effective mass of the magneto-exciton, tunable by the field intensity. Our results show that in low effective mass two-dimensional semiconductors, such as Xanes, the applied magnetic field allows one to tune the magneto-exciton effective mass over a wide range of values.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000670329600003 Publication Date 2021-05-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.554 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 1.554
Call Number UA @ admin @ c:irua:179762 Serial 7037
Permanent link to this record
 

 
Author Andelkovic, M.; Rakhimov, K.Y.; Chaves, A.; Berdiyorov, G.R.; Milošević, M.V.
Title Wave-packet propagation in a graphene geometric diode Type A1 Journal article
Year 2023 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal
Volume 147 Issue Pages 115607-4
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) Dynamics of electron wave-packets is studied using the continuum Dirac model in a graphene geometric diode where the propagation of the wave packet is favored in certain direction due to the presence of geometric constraints. Clear rectification is obtained in the THz frequency range with the maximum rectification level of 3.25, which is in good agreement with recent experiments on graphene ballistic diodes. The rectification levels are considerably higher for systems with narrower channels. In this case, the wave packet transmission probabilities and rectification rate also strongly depend on the energy of the incident wave packet, as a result of the quantum nature of energy levels along such channels. These findings can be useful for fundamental understanding of the charge carrier dynamics in graphene geometry diodes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000903737000003 Publication Date 2022-12-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 1 Open Access OpenAccess
Notes Approved Most recent IF: 3.3; 2023 IF: 2.221
Call Number UA @ admin @ c:irua:193497 Serial 7351
Permanent link to this record
 

 
Author Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B.
Title Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures Type A1 Journal article
Year 2021 Publication 2d Materials Abbreviated Journal 2D Mater
Volume Issue Pages 015018
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000722020100001 Publication Date 2021-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record
Impact Factor 6.937 Times cited 1 Open Access OpenAccess
Notes Approved Most recent IF: 6.937
Call Number UA @ admin @ c:irua:183053 Serial 7036
Permanent link to this record
 

 
Author Lavor, I.R.; Cavalcante, L.S.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B.
Title Probing the structure and composition of van der Waals heterostructures using the nonlocality of Dirac plasmons in the terahertz regime Type A1 Journal article
Year 2021 Publication 2d Materials Abbreviated Journal 2D Mater
Volume 8 Issue 1 Pages 015014
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) Dirac plasmons in graphene are very sensitive to the dielectric properties of the environment. We show that this can be used to probe the structure and composition of van der Waals heterostructures (vdWh) put underneath a single graphene layer. In order to do so, we assess vdWh composed of hexagonal boron nitride and different types of transition metal dichalcogenides (TMDs). By performing realistic simulations that account for the contribution of each layer of the vdWh separately and including the importance of the substrate phonons, we show that one can achieve single-layer resolution by investigating the nonlocal nature of the Dirac plasmon-polaritons. The composition of the vdWh stack can be inferred from the plasmon-phonon coupling once it is composed by more than two TMD layers. Furthermore, we show that the bulk character of TMD stacks for plasmonic screening properties in the terahertz regime is reached only beyond 100 layers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000582820500001 Publication Date 2020-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.937 Times cited 4 Open Access OpenAccess
Notes ; This work was financially supported by the Brazilian Council for Research (CNPq), Brazilian National Council for the Improvement of Higher Education (CAPES) and by the Research Foundation Flanders (FWO) through a postdoctoral fellowship to B.V.D. ; Approved Most recent IF: 6.937
Call Number UA @ admin @ c:irua:173507 Serial 6696
Permanent link to this record