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“Strain fields in graphene induced by nanopillar mesh”. Milovanović, SP, Covaci L, Peeters FM, Journal of applied physics 125, 082534 (2019). http://doi.org/10.1063/1.5074182
Abstract: The mechanical and electronic properties of a graphene membrane placed on top of a triangular superlattice of nanopillars are investigated. We use molecular dynamics simulations to access the deformation fields and the tight-binding approaches to calculate the electronic properties. Ripples form in the graphene layer that span across the unit cell, connecting neighboring pillars, in agreement with recent experiments. We find that the resulting pseudo-magnetic field (PMF) varies strongly across the unit cell. We investigate the dependence of PMF on unit cell boundary conditions, height of the pillars, and the strength of the van der Waals interaction between graphene and the substrate. We find direct correspondence with typical experiments on pillars, showing intrinsic “slack” in the graphene membrane. PMF values are confirmed by the local density of states calculations performed at different positions of the unit cell showing pseudo-Landau levels with varying spacings. Our findings regarding the relaxed membrane configuration and the induced strains are transferable to other flexible 2D membranes.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 9
DOI: 10.1063/1.5074182
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“Position-dependent effect of non-magnetic impurities on superconducting properties of nanowires”. Zhang L-F, Covaci L, Peeters FM, Europhysics letters 109, 17010 (2015). http://doi.org/10.1209/0295-5075/109/17010
Abstract: Anderson's theorem states that non-magnetic impurities do not change the bulk properties of conventional superconductors. However, as the dimensionality is reduced, the effect of impurities becomes more significant. Here we investigate superconducting nanowires with diameter comparable to the Fermi wavelength $\lambda_F$ (which is less than the superconducting coherence length) by using a microscopic description based on the Bogoliubov-de Gennes method. We find that: 1) impurities strongly affect the superconducting properties, 2) the effect is impurity position dependent, and 3) it exhibits opposite behavior for resonant and off-resonant wire widths. We show that this is due to the interplay between the shape resonances of the order parameter and the subband energy spectrum induced by the lateral quantum confinement. These effects can be used to manipulate the Josephson current, filter electrons by subband and investigate the symmetries of the superconducting subband gaps.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 7
DOI: 10.1209/0295-5075/109/17010
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“Quantum mechanics of spin transfer in coupled electron-spin chains”. Kim W, Covaci L, Dogan F, Marsiglio F, Epl 79, 67004 (2007). http://doi.org/10.1209/0295-5075/79/67004
Abstract: The manner in which spin-polarized electrons interact with a magnetized thin film is currently described by a semi-classical approach. This in turn provides our present understanding of the spin transfer, or spin torque phenomenon. However, spin is an intrinsically quantum-mechanical quantity. Here, we make the first strides towards a fully quantum-mechanical description of spin transfer through spin currents interacting with a Heisenberg-coupled spin chain. Because of quantum entanglement, this requires a formalism based on the density matrix approach. Our description illustrates how individual spins in the chain time-evolve as a result of spin transfer.
Keywords: A1 Journal article
Impact Factor: 1.957
Times cited: 3
DOI: 10.1209/0295-5075/79/67004
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“Holstein polaron: The effect of coupling to multiple-phonon modes”. Covaci L, Berciu M, Epl 80, 67001 (2007). http://doi.org/10.1209/0295-5075/80/67001
Abstract: We investigate the effects of coupling to multiple-phonon modes on the properties of a Holstein polaron. To this end, we generalize the Momentum Average approximations MA((0)) and MA((1)) to deal with multiple-phonon modes. As for a single-phonon mode, these approximations are found to be numerically very efficient. They become exact for very weak or very strong couplings, and are highly accurate in the intermediate regimes, e.g. the spectral weights obey exactly the first six, respectively eight, sum rules. Our results show that the effect on ground-state properties is cumulative in nature. As a result, if the effective coupling to one mode is much larger than to all the others, this mode effectively determines the ground-state properties. However, even very weak coupling to a second phonon mode has important non-perturbational effects on the higher-energy spectrum, in particular on the dispersion and the phonon statistics of the polaron band. This has important consequences on the analysis and interpretation of data for real materials.
Keywords: A1 Journal article
Impact Factor: 1.957
Times cited: 9
DOI: 10.1209/0295-5075/80/67001
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“Dynamic and static phases of vortices under an applied drive in a superconducting stripe with an array of weak links”. Berdiyorov GR, de Romaguera ARC, Milošević, MV, Doria MM, Covaci L, Peeters FM, European physical journal : B : condensed matter and complex systems 85, 130 (2012). http://doi.org/10.1140/epjb/e2012-30013-7
Abstract: Static and dynamic properties of superconducting vortices in a superconducting stripe with a periodic array of weakly-superconducting (or normal metal) regions are studied in the presence of external magnetic and electric fields. The time-dependent Ginzburg-Landau theory is used to describe the electronic transport, where the anisotropy is included through the spatially-dependent critical temperature T-c. Superconducting vortices penetrating into the weak-superconducting region with smaller T-c are more mobile than the ones in the strong superconducting regions. We observe periodic entrance and exit of vortices which reside in the weak link for some short interval. The mobility of the weakly-pinned vortices can be reduced by increasing the uniform applied magnetic field leading to distinct features in the voltage vs. magnetic field response of the system.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.461
Times cited: 32
DOI: 10.1140/epjb/e2012-30013-7
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“DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder”. Andelkovic M, Covaci L, Peeters FM, Physical review materials 2, 034004 (2018). http://doi.org/10.1103/PHYSREVMATERIALS.2.034004
Abstract: The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 27
DOI: 10.1103/PHYSREVMATERIALS.2.034004
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“Composite super-moiré, lattices in double-aligned graphene heterostructures = Composite super-moire lattices in double-aligned graphene heterostructures”. Wang Z, Wang YB, Yin J, Tovari E, Yang Y, Lin L, Holwill M, Birkbeck J, Perello DJ, Xu S, Zultak J, Gorbachev RV, Kretinin AV, Taniguchi T, Watanabe K, Morozov SV, Andelkovic M, Milovanović, SP, Covaci L, Peeters FM, Mishchenko A, Geim AK, Novoselov KS, Fal'ko VI, Knothe A, Woods CR, Science Advances 5, eaay8897 (2019). http://doi.org/10.1126/SCIADV.AAY8897
Abstract: When two-dimensional (2D) atomic crystals are brought into close proximity to form a van der Waals heterostructure, neighbouring crystals may influence each other's properties. Of particular interest is when the two crystals closely match and a moire pattern forms, resulting in modified electronic and excitonic spectra, crystal reconstruction, and more. Thus, moire patterns are a viable tool for controlling the properties of 2D materials. However, the difference in periodicity of the two crystals limits the reconstruction and, thus, is a barrier to the low-energy regime. Here, we present a route to spectrum reconstruction at all energies. By using graphene which is aligned to two hexagonal boron nitride layers, one can make electrons scatter in the differential moire pattern which results in spectral changes at arbitrarily low energies. Further, we demonstrate that the strength of this potential relies crucially on the atomic reconstruction of graphene within the differential moire super cell.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Times cited: 71
DOI: 10.1126/SCIADV.AAY8897
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“Zitterbewegung of moiré, excitons in twisted MoS₂/WSe₂, heterobilayers”. Lavor IR, da Costa DR, Covaci L, Milošević, MV, Peeters FM, Chaves A, Physical review letters 127, 106801 (2021). http://doi.org/10.1103/PHYSREVLETT.127.106801
Abstract: 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.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Times cited: 5
DOI: 10.1103/PHYSREVLETT.127.106801
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“Comparative analysis of tight-binding models for transition metal dichalcogenides”. Jorissen B, Covaci L, Partoens B, SciPost physics core 7, 004 (2024). http://doi.org/10.21468/SCIPOSTPHYSCORE.7.1.004
Abstract: We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
DOI: 10.21468/SCIPOSTPHYSCORE.7.1.004
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