Related papers: DFT-Based Engineering of Dirac Surface Energy in T…
A three-dimensional weak topological insulator (WTI), being equivalent to stacked layers of two-dimensional quantum spin-Hall insulators, accommodates massless Dirac electrons on its side surface. A notable feature of WTIs is that surface…
The newly discovered topological crystalline insulators (TCIs) harbor a complex band structure involving multiple Dirac cones. These materials are potentially highly tunable by external electric field, temperature or strain and could find…
Recently, noncentrosymmetric superconductor BiPd has attracted considerable research interest due to the possibility of hosting topological superconductivity. Here we report a systematic high-resolution angle-resolved photoemission…
We study the effects of strong electron-electron interactions on the surface of cubic topological Kondo insulators (such as samarium hexaboride, SmB$_6$). Cubic topological Kondo insulators generally support three copies of massless Dirac…
Antiferromagnetic (AF) topological materials offer a fertile ground to explore a variety of quantum phenomena such as axion magnetoelectric dynamics and chiral Majorana fermions. To realize such intriguing states, it is essential to…
The protected surface states of topological insulators (TIs) form gapless Dirac cones corresponding non-degenerate eigenstates with helical spin polarisation. The presence of a warping term deforms the isotropic cone of the most simple…
We theoretically study intrinsic superconductivity in doped Dirac semimetals. Dirac semimetals host bulk Dirac points, which are formed by doubly degenerate bands, so the Hamiltonian is described by a $4 \times 4$ matrix and six types of…
Gapping of Dirac surface states through time reversal symmetry breaking may realize the axion insulator state in condensed matter. Despite tremendous efforts, only a few material systems fall in this category of intrinsic magnetic…
We reveal a class of three-dimensional $d$-orbital topological materials in the antifluorite Cu$_2$S family. Derived from the unique properties of low-energy $t_{2g}$ states, their phases are solely determined by the sign of spin-orbit…
Dirac semimetal is a class of semi-metallic phase protected by certain types of crystalline symmetries, and its low-energy effective Hamiltonian is described by Dirac equations in three dimensions (3D). Despite of various theoretical…
Further development of the field of all-electric spintronics requires the successful integration of spin transport channels with spin injector/generator elements. While with the advent of graphene and related 2D materials high performance…
Topological insulators (TIs) present a neoteric class of materials, which support delocalised, conducting surface states despite an insulating bulk. Due to their intriguing electronic properties, their optical properties have received…
It is well established that topological insulators sustain Dirac fermion surface states as a consequence of band inversion in the bulk. These states have a helical spin polarization and a linear dispersion with large Fermi velocity. In this…
Topological insulator (TI) represents an unconventional quantum phase of matter with insulating bulk bandgap and metallic surface states. Recent theoretical calculations and photoemission spectroscopy measurements show that Group V-VI…
Topological insulators are characterized by Dirac cone surface states with electron spins aligned in the surface plane and perpendicular to their momenta. Recent theoretical and experimental work implied that this specific spin texture…
Three-dimensional topological insulators feature Dirac-like surface states which are topologically protected against the influence of weak quenched disorder. Here we investigate the effect of surface disorder beyond the weak-disorder limit…
We study topological properties of density wave states with broken translational symmetry in two-dimensional multi-orbital systems with a particular focus on t$_{2g}$ orbitals in square lattice. Due to distinct symmetry properties of…
We study the magnetic properties of topological insulators doped with isoelectronic magnetic impurities. We obtain that at zero temperature the impurities order ferromagnetically, but when raising the temperature the topological insulator…
In the present work, we investigated the electronic and elastic properties in equilibrium and under strain of the type-II Dirac semimetal NiTe$_2$ using density functional theory (DFT). Our results demonstrate the tunability of Dirac nodes'…
In this work, for the first time, a density functional theory (DFT) based comprehensive theoretical study is performed on the surface electronic properties of Bi2Se3 nanosheet in the presence of a surface capping layer as well as mechanical…