arXiv subjects

P. Potasz

Publications and source records attributed to P. Potasz.

15 recordsLinked to original sources

arXiv2018

Topological phases in Bi/Sb planar and buckled honeycomb monolayers

We investigate topological phases in two-dimensional Bi/Sb honeycomb crystals considering planar, buckled, freestanding and deposited on a substrate structures. We use the multi-orbital tight-binding model and compare results with density functional theory methods. We distinguish topological phases by calculating topological invariants, analyze edge states of systems in a ribbon geometry and by looking at their entanglement spectra. We show that weak coupling to the substrate of buckled and planar crystals is sufficient to lead to a transition to the $Z_2$ topological insulator phase. Topological crystalline insulator (TCI) phase exhibits a pair of edge states in the semi-infinite geometry and in the entanglement spectrum. Transport calculations for TCI phases show robust quantized conductance even in a presence of symmetry-breaking disorder.

cond-mat.mtrl-sci↗

arXiv2017

Topological phase transitions in Chern insulators within three-band models

We investigate topological phase transitions in Chern insulators within three-band models, focusing on the empty band and lowest band populated by spinless fermions. We consider Lieb and kagome lattices and notice phase transitions driven by the hopping integral between nearest-neighbors, which leads to the change of the lowest band Chern number from $C=1$ to $C=-1$. In the single-particle picture, different phases are examined by investigating corresponding entanglement spectra and the evolution of the entanglement entropy. Entanglement spectra reveal the spectral flow characteristic of topologically nontrivial systems before and after phase transitions. For the lowest band with $1/3$ filling, Fractional Chern insulator (FCI) phases are identified by examining the ground state momenta, the spectral flow, and counting of the entanglement energy levels below the gap in the entanglement spectrum. A quasilinear dependence of the entanglement entropy $α(n_A)$ term is observed for FCI phase, similarly to linear behavior expected for Laughlin phase in the fractional quantum Hall effect. At the topological phase transition, for both empty and partially filled lowest bands, the energy gap closure and a discontinuity in the entanglement entropy are observed. This coincides with the divergence of a standard deviation of the Berry curvature. We notice also a phase transition driven by the nearest-neighbor interaction in the Lieb lattice, where the many-body energy gap closes. The phase transitions are shown to be stable for an arbitrary system size, thus predicted to be present in the thermodynamic limit. While our calculations are performed for an interaction energy far exceeding the gap between the two lowest energy bands, we note that the higher band does not affect the phase transitions, however destabilizes FCI phases.

cond-mat.str-el↗

arXiv2017

Entanglement entropy and entanglement spectrum of Bi$_{1-x}$Sb$_{x}$ (111) bilayers

We investigate topological properties of Bi$_{1-x}$Sb$_{x}$ bilayers in the (111) plane using entanglement measures. Electronic structures are studied using multi-orbital tight-binding model, with structural stability confirmed through first-principles calculations. Topologically non-trivial nature of Bi bilayer is proved by the presence of spectral flow in the entanglement spectrum. We consider topological phase transitions driven by a composition change $x$, an applied external electric field in pure Bi, and strain in pure Sb. Composition- and strain-induced phase transitions reveal a finite discontinuity in the entanglement entropy. However, this quantity remains a continuous function of electric field strength, but shows a discontinuity in the first derivative. We relate the difference in behavior of the entanglement entropy to breaking of the inversion symmetry in the last case.

cond-mat.mes-hall↗

arXiv2017

Band nesting, massive Dirac Fermions and Valley Lande and Zeeman effects in transition metal dichalcogenides: a tight-binding model

We present here the minimal tight--binding model for a single layer of transition metal dichalcogenides (TMDCs) MX$_{2}$ (M--metal, X--chalcogen) which illuminates the physics and captures band nesting, massive Dirac Fermions and Valley Lande and Zeeman magnetic field effects. TMDCs share the hexagonal lattice with graphene but their electronic bands require much more complex atomic orbitals. Using symmetry arguments, a minimal basis consisting of 3 metal d--orbitals and 3 chalcogen dimer p--orbitals is constructed. The tunneling matrix elements between nearest neighbor metal and chalcogen orbitals are explicitly derived at $K$, $-K$ and $\Gamma$ points of the Brillouin zone. The nearest neighbor tunneling matrix elements connect specific metal and sulfur orbitals yielding an effective $6\times 6$ Hamiltonian giving correct composition of metal and chalcogen orbitals but not the direct gap at $K$ points. The direct gap at $K$, correct masses and conduction band minima at $Q$ points responsible for band nesting are obtained by inclusion of next neighbor Mo--Mo tunneling. The parameters of the next nearest neighbor model are successfully fitted to MX$_2$ (M=Mo, X=S) density functional (DFT) ab--initio calculations of the highest valence and lowest conduction band dispersion along $K-\Gamma$ line in the Brillouin zone. The effective two--band massive Dirac Hamiltonian for MoS$_2$, Lande g--factors and valley Zeeman splitting are obtained.

cond-mat.mtrl-sci↗

arXiv2016

Stability of topological properties of bismuth (111) bilayer

We investigate electronic and transport properties of bismuth (111) bilayer in the context of stability of its topological properties against different perturbations. The effects of spin-orbit coupling variations, geometry relaxation and an interaction with a substrate are considered. Transport properties are studied in the presence of Anderson disorder. Band structure calculations are performed within multi-orbital tight-binding model and density functional theory methods. A band inversion process in bismuth (111) infinite bilayer and an evolution of edge states dispersion in ribbons as a function of spin-orbit coupling strength are analyzed. A significant change of orbital composition of the conduction and valence bands during a topological phase transition is observed. A topological phase is shown to be robust when the effect of geometry relaxation is taken into account. An interaction with a substrate has similar effect to an external perpendicular electric field. The robust quantized conductance is observed when the Fermi energy lies within the bulk energy gap, where only two counter-propagating edge states are present. For energies where the Fermi level crosses more in-gap states, a scattering is possible between channels lying close in $k-$space. When the energy of edge states overlaps with bulk states, no topological protection is observed.

cond-mat.mes-hall↗

arXiv2015

Orbital Magnetization of Quantum Spin Hall Insulator Nanoparticles

Both spin and orbital degrees of freedom contribute to the magnetic moment of isolated atoms. However, when inserted in crystals, atomic orbital moments are quenched because of the lack of rotational symmetry that protects them when isolated. Thus, the dominant contribution to the magnetization of magnetic materials comes from electronic spin. Here we show that nanoislands of quantum spin Hall insulators can host robust orbital edge magnetism whenever their highest occupied Kramers doublet is singly occupied, upgrading the spin edge current into a charge current. The resulting orbital magnetization scales linearly with size, outweighing the spin contribution for islands of a few nm in size. This linear scaling is specific of the Dirac edge states and very different from Schrodinger electrons in quantum rings. Modelling Bi(111) flakes, whose edge states have been recently observed, we show that orbital magnetization is robust with respect to disorder, thermal agitation, shape of the island and crystallographic direction of the edges, reflecting its topological protection.

cond-mat.mes-hall↗

arXiv2013

Zero-energy states of graphene triangular quantum dots in a magnetic field

We present a tight-binding theory of triangular graphene quantum dots (TGQD) with zigzag edge and broken sublattice symmetry in external magnetic field. The lateral size quantization opens an energy gap and broken sublattice symmetry results in a shell of degenerate states at the Fermi level. We derive a semi-analytical form for zero-energy states in a magnetic field and show that the shell remains degenerate in a magnetic field, in analogy to the 0th Landau level of bulk graphene. The magnetic field closes the energy gap and leads to the crossing of valence and conduction states with the zero-energy states, modulating the degeneracy of the shell. The closing of the gap with increasing magnetic field is present in all graphene quantum dot structures investigated irrespective of shape and edge termination.

cond-mat.mes-hall↗

arXiv2013

Disorder induced loss of magnetization in Lieb's graphene quantum dots

The stability of the magnetization in Lieb graphene quantum dots (GQD) against disorder is studied. Such systems exhibit the degenerate shell of edge states in the middle of the energy gap occupied by spin polarized electrons. Disorder affects the energy spectrum and leads to the removal of the degeneracy, and in a consequence the loss of the magnetization. We find that there is a critical value of disorder strength over which the magnetization starts dropping. We first consider GQDs with different shapes and edge termination and compare the effect of bulk and edge disorder. We find that bulk disorder influences the energy spectrum far away from the Fermi level while edge disorder affects states in the vicinity of it. We next focus on Lieb GQDs with a single zigzag edge. The stability of the ferromagnetic order against disorder strength is analyzed for structures with a different edge length. The probability of getting maximal spin polarization is determined.

cond-mat.mes-hall↗

arXiv2012

Electronic properties of gated triangular graphene quantum dots: Magnetism, correlations, and geometrical effects

We present a theory of electronic properties of gated triangular graphene quantum dots with zigzag edges as a function of size and carrier density. We focus on electronic correlations, spin and geometrical effects using a combination of atomistic tight-binding, Hartree-Fock and configuration interaction methods (TB+HF+CI) including long range Coulomb interactions. The single particle energy spectrum of triangular dots with zigzag edges exhibits a degenerate shell at the Fermi level with a degeneracy N_{edge} proportional to the edge size. We determine the effect of the electron-electron interactions on the ground state, the total spin and the excitation spectrum as a function of a shell filling and the degeneracy of the shell using TB+HF+CI for N_{edge} < 12 and approximate CI method for N_{edge}\geq 12. For a half-filled neutral shell we find spin polarized ground state for structures up to N=500 atoms in agreement with previous {\it ab initio} and mean-field calculations, and in agreement with Lieb's theorem for a Hubbard model on a bipartite lattice. Adding a single electron leads to the complete spin depolarization for N_{edge}\leq 9. For larger structures, the spin depolarization is shown to occur at different filling factors. Away from half-fillings excess electrons(holes) are shown to form Wigner-like spin polarized triangular molecules corresponding to large gaps in the excitation spectrum. The validity of conclusions is assessed by a comparison of results obtained from different levels of approximations. While for the charge neutral system all methods give qualitatively similar results, away from the charge neutrality an inclusion of all Coulomb scattering terms is necessary to produce results presented here.

cond-mat.mes-hall↗

arXiv2011

Electric-field controlled spin in bilayer triangular graphene quantum dots

We present theoretical results based on mean-field and exact many-body approaches showing that in bilayer triangular graphene quantum dots with zigzag edges the magnetism can be controlled by an external vertical electric-field. We demonstrate that without electric field the spins of the two layers of the quantum dot interact ferromagnetically. At a critical value of the electric-field, the total spin of the bilayer structure can be turned off or reduced to a single localized spin, a qubit isolated from contacts and free from interaction with nuclear spins.

cond-mat.mes-hall↗

arXiv2010

Excitonic absorption in gate controlled graphene quantum dots

We present a theory of excitonic processes in gate controlled graphene quantum dots. The dependence of the energy gap on shape, size and edge for graphene quantum dots with up to a million atoms is predicted. Using a combination of tight-binding, Hartree-Fock and configuration interaction methods, we show that triangular graphene quantum dots with zigzag edges exhibit optical transitions simultaneously in the THz, visible and UV spectral ranges, determined by strong electron-electron and excitonic interactions. The relationship between optical properties and finite magnetic moment and charge density controlled by an external gate is predicted.

cond-mat.mes-hall↗

arXiv2010

Spin and electronic correlations in gated graphene quantum rings

We present a theory of graphene quantum rings designed to produce degenerate shells of single particle states close to the Fermi level. We show that populating these shells with carriers using a gate leads to correlated ground states with finite total electronic spin. Using a combination of tight-binding and configuration interaction methods we predict ground state and total spin of the system as a function of the filling of the shell. We show that for smaller quantum rings, the spin polarization of the ground state at half filling depends strongly on the size of the system, but reaches a maximum value after reaching a critical size.

cond-mat.mtrl-sci↗

arXiv2009

Zero-energy states in triangular and trapezoidal graphene structures

We derive analytical solutions for the zero-energy states of degenerate shell obtained as a singular eigenevalue problem found in tight-binding (TB) Hamiltonian of triangular graphene quantum dots with zigzag edges. These analytical solutions are in agreement with previous TB and density functional theory (DFT) results for small graphene triangles and extend to arbitrary size. We also generalize these solutions to trapezoidal structure which allow us to study bowtie graphene devices.

cond-mat.mtrl-sci↗

arXiv2009

Electronic shells of Dirac fermions in graphene quantum rings in a magnetic field

We present results of tight binding calculations demonstrating existence of degenerate electronic shells of Dirac Fermions in narrow, charge neutral graphene quantum rings. We predict removal of degeneracy with finite magnetic field. We show, using a combination of tight binding and configuration interaction methods, that by filling a graphene ring with additional electrons this carbon based structure with half-filled shell acquires a finite magnetic moment.

cond-mat.mtrl-sci↗

arXiv2009

Magnetism and correlations in fractionally filled degenerate shells of graphene quantum dots

When an electron is confined to a triangular atomic thick layer of graphene [1-5] with zig-zag edges, its energy spectrum collapses to a shell of degenerate states at the Fermi level (Dirac point) [6-9]. The degeneracy is proportional to the edge size and can be made macroscopic. This opens up the possibility to design a strongly correlated electronic system as a function of fractional filling of the zero-energy shell, in analogy to the fractional quantum Hall effect in a quasi-two-dimensional electron gas[10], but without the need for a high magnetic field. In this work we show that electronic correlations, beyond the Hubbard model[6,7] and mean-field density functional theory (DFT) [7,8] play a crucial role in determining the nature of the ground state and the excitation spectrum of triangular graphene quantum dots as a function of dot size and filling fraction of the shell of zero-energy states. The interactions are treated by a combination of DFT, tight-binding, Hartree-Fock and configuration interaction methods (TB-HF-CI) and include all scattering and exchange terms within second nearest neighbors as well as interaction with metallic gate. We show that a half filled charge neutral shell leads to full spin polarization of the island but this magnetic moment is completely destroyed by the addition of a single electron, in analogy to the effect of skyrmions on the quantum Hall ferromagnet [11-14] and spin depolarization in electrostatically defined semiconductor quantum dots[15-18]. The depolarization of the ground state is predicted to result in blocking of current through a graphene quantum dot due to spin blockade (SB) [18].

cond-mat.mtrl-sci↗