Related papers: Localized Wannier function based tight-binding mod…
Electronic band structure is a cornerstone of condensed matter physics and materials science. Conventional methods like Wannier interpolation (WI), which are commonly used to interpolate band structures onto dense k-point grids, often…
There has been remarkable recent progress in the formation of nano-resonators that support ultra-low-loss, compact dielectric photonic crystals with exceptional high-Q modes that operate at visible or telecom wavelengths. New insights into…
We use maximally localized Wannier functions to construct tight-binding (TB) parameterizations for the e_g bands of LaMnO_3 based on first principles electronic structure calculations. We compare two different ways to represent the relevant…
Two-dimensional (2D) bismuth (Bi) layer, known as bismuthene, exhibits $Z2$ topological bulk states due to large spin-orbit coupling that inverts the bands. Using the tight-binding method, we calculate the band structure of buckled…
Maximally-localized Wannier functions (MLWFs) are a powerful and broadly used tool to characterize the electronic structure of materials, from chemical bonding to dielectric response to topological properties. Most generally, one can…
The discovery of strong topological insulators led to enormous activity in condensed matter physics and the discovery of new types of topological materials. Bisumth based chalcogenides are exemplary strong three dimensional topological…
Wannier functions that are maximally localized help in understanding many properties of crystalline materials. In the absence of topological obstructions, they are at least exponentially localized. In some cases such as flat-band…
A twist between two systems offers the possibility to drastically change the underlying physical properties. To that end, we study the bandstructure of twisted moir\'e potentials in detail. At sets of commensurate twisting angles, the low…
We analyze the electronic structure of group II-VI semiconductors obtained within LMTO approach in order to arrive at a realistic and minimal tight binding model, parameterized to provide an accurate description of both valence and…
Artificially constructed van der Waals heterostructures (vdWHs) provide an ideal platform for realizing emerging quantum phenomena in condensed matter physics. Two methods for building vdWHs have been developed: stacking two-dimensional…
The discovery of photonic higher-order topological insulators (HOTIs) has significantly expanded our understanding of band topology and provided unprecedented lower-dimensional topological boundary states for robust photonic devices.…
Crystalline symmetries have played a central role in the identification of topological materials. The use of symmetry indicators and band representations have enabled a classification scheme for crystalline topological materials, leading to…
Motivated by the strong-correlation phenomenology observed near the superconducting phase in twisted bilayer WSe$_2$, we study multi-orbital $t$-$J$ models that are derived from different parameter regimes. The models contain effective…
Twisting bilayers of transition metal dichalcogenides (TMDs) gives rise to a periodic moir\'{e} potential resulting in flat electronic bands with localized wavefunctions and enhanced correlation effects. In this work, scanning tunneling…
We apply a topological material design concept for selecting a bulk topology of 3D crystals by different van-der-Waals stacking of 2D topological insulator layers, and find a bismuth halide Bi4Br2I2 to be an ideal weak topological insulator…
Topological insulator field-effect transistors (TIFETs) built on 2-D quantum spin Hall insulators are being considered as advanced logic transistors due to their potentially superior performance originating from the dissipationless edge…
The Luttinger liquid (LL) model of one-dimensional (1D) electronic systems provides a powerful tool for understanding strongly correlated physics including phenomena such as spin-charge separation. Substantial theoretical efforts have…
Bismuth has been shown to be topological in its different allotropes and compounds, with one of the most notable examples being the Bi-Sb alloy, the first 3D topological insulator ever discovered. In this paper we explore two-dimensional…
The advent of two-dimensional (2D) crystals has led to numerous scientific breakthroughs. Conventional 2D systems have in-plane covalent bonds and a weak out-of-plane van-der-Waals bond. Here we report a new type of 2D material composed of…
Weak antilocalization (WAL) is expected whenever strong spin-orbit coupling or scattering comes into play. Spin-orbit coupling in the bulk states of a topological insulator is very strong, enough to result in the topological phase…