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The centrosymmetric halide perovskites undergo a continuous phase transition from a normal insulator to a topological insulator at the critical value of strain. Contrarily, in noncentrosymmetric halide perovskites, this phase transition is…
Complex quantum coupling phenomena of halide perovskites are examined through ab-initio calculations and exact diagonalization of model Hamiltonians to formulate a set of fundamental guiding rules to engineer the bandgap through strain. The…
The two-dimensional layered perovskite Sr2IrO4 was proposed to be a spin-orbit Mott insulator, where the effect of Hubbard interaction is amplified on a narrow J_{eff} = 1/2 band due to strong spin-orbit coupling. On the other hand, the…
Through model Hamiltonian studies and first-principle electronic structure calculations, we have examined the effect of inversion symmetry breaking (ISB) field and hydrostatic pressure on the band topology of halide perovskites by taking…
Topological insulators (TIs) are an important family of quantum materials that exhibit a Dirac point (DP) in the surface band structure but have a finite band gap in bulk. A large degree of spin-orbit interaction and low bandgap is a…
Topological insulators are a class of band insulators with non-trivial topology, a result of band inversion due to the strong spin-orbit coupling. The transition between topological and normal insulator can be realized by tuning the…
We predict a new class of topological crystalline insulators (TCI) in the anti-perovskite material family with the chemical formula A$_3$BX. Here the nontrivial topology arises from band inversion between two $J=3/2$ quartets, which is…
The electronic band structure of iron pnictides exhibits four Dirac cones, which are due to crystal symmetry and orbital bonding orientation. This hallmark signature presents the pnictide family as an ideal candidate in the search for…
By considering the bulk-edge correspondence of the skyrmion crystal this work focused on the relation of the topological properties to the polarity ($Q_{\rm{sk}}$), next-nearest-neighbor hopping ($t'$), and exchange coupling ($J$). We found…
Topological band insulators which are dynamically generated by electron-electron interactions have been the- oretically proposed in two and three dimensional lattice models. We present evidence that the two-dimensional version can be…
Electrons hopping on the sites of a two-dimensional Lieb lattice and three-dimensional edge centered cubic (perovskite) lattice are shown to form topologically non-trivial insulating phases when spin-orbit coupling is introduced. These…
Topological quantum phase transitions (TQPTs) in a material induced by external perturbations are often characterized by band touching points in the Brillouin zone. The low-energy excitations near the degenerate band touching points host…
We predict a quantum phase transition from normal to topological insulators in the 5$d$ transition metal oxide Na$_2$IrO$_3$, where the transition can be driven by the change of the long-range hopping and trigonal crystal field terms. From…
Perovskite structured materials contain myriad tunable ordered phases of electronic and magnetic origin with proven technological importance and strong promise for a variety of energy solutions. An always-contributing influence beneath…
Topological phase transition in a single material usually refers to transitions between a trivial band insulator and a topological Dirac phase, but the transition may also occur between different classes of topological Dirac phases.…
Topological insulators are characterized by a nontrivial band topology driven by the spin-orbit coupling. To fully explore the fundamental science and application of topological insulators, material realization is indispensable. Here we…
We consider the analogy between the topological phase transition which occurs as a function of spatial coordinate on a surface of a non-trivial insulator, and the one which occurs in the bulk due to the change of internal parameters (such…
We start by describing a symmetry enforced nodal line semi-metal (NLSM) in the 2D flat form of honeycomb Group - V and its non trivial thermo-electric response. We will then proceed to show that, upon buckling, the system undergoes its…
A Z2 topological insulator protected by time-reversal symmetry is realized via spin-orbit interaction driven band inversion. For example, the topological phase in the Bi-Sb system is due to an odd number of band inversions. A related…
Tuning the spin-orbit coupling strength via foreign element doping and/or modifying bonding strength via strain engineering are the major routes to convert normal insulators to topological insulators. We here propose an alternative strategy…