Related papers: $GW$ study of pressure-induced topological insulat…
The recently discovered three dimensional or bulk topological insulators are expected to exhibit exotic quantum phenomena. It is believed that a trivial insulator can be twisted into a topological state by modulating the spin-orbit…
Pressure-induced insulator-to-metal transition (IMT) has been studied in the van der Waals compound iron thiophosphate (FePS3) using first-principles calculations within the periodic linear combination of atomic orbitals method with hybrid…
We study pressure-induced structural evolution of vanadium diselenide (VSe2), a 1T polymorphic member of the transition metal di-chalcogenide (TMD) family using synchrotron-based powder X-ray diffraction (PXRD) and first-principles density…
Topological insulators have been studied intensively over the last decades. Among these materials, three-dimensional (3D) zirconium pentatelluride (ZrTe$_5$) stands out as one of the most intriguing for both theoretical and experimental…
We consider the id-density wave (DDW) order, representing the pseudo-gap (PG) state, and the d-wave superconductivity (DSC)within the BCS framework for the two-dimensional (2D) fermion system on a square lattice starting with a mean-field…
Topologically ordered quantum systems have robust physical properties, such as quasiparticle statistics and ground-state degeneracy, which do not depend on the microscopic details of the Hamiltonian. We consider topological phase…
The intrinsic magnetic topological material MnBi2Te4 has demonstrated great potential to investigate the interplay between topology and magnetism, which opens up new avenues for manipulating non-trivial electronic states and designing…
The high-pressure behaviour of Na$_2$CuF$_4$ is explored by powder neutron diffraction and density functional theory (DFT) calculations. A first-order phase transition is observed to take place between 2.4 - 2.9 GPa, involving a…
Superatomic crystal is a class of hierarchical materials composed of atomically precise clusters assembled via van der Waals or covalent-like interactions. AuTe$_2$Se$_{4/3}$, an all-inorganic superatomic superconductor exhibiting…
Quasi-one-dimensional (1D) materials provide a superior platform for characterizing and tuning topological phases for two reasons: i) existence for multiple cleavable surfaces that enables better experimental identification of topological…
We report a comprehensive magneto-transport study on single crystalline p-type topological crystalline insulator (TCI) SnTe, across the cubic-to-rhombohedral (R3m) transition which occurs as a function of temperature. The electrical…
Topological insulators (TIs) are materials that are insulating in the bulk but have zero band gap surface states with linear dispersion and are protected by time reversal symmetry. These unique characteristics could pave the way for many…
The topological phase transition between two band insulators is mediated by a gapless state whose low-energy band structure normally contains sufficient information for describing the topology change. In this work, we show that there is a…
Currently known topological insulators (TIs) are limited to narrow gap compounds incorporating heavy elements, thus severely limiting the material pool available for such applications. We show via first-principle calculations how a…
We report on the experimental realization of Pb1-xSnxTe pentagonal nanowires (NWs) with [110] orientation using molecular beam epitaxy techniques. Using first-principles calculations, we investigate the structural stability in NWs of SnTe…
For topological insulators and topological crystalline insulators (TCIs), their exotic surface states are promising for fundamental condensed matter physics research as well as future electronics such as low-dissipation electronics and…
We develop a unified view of topological phase transitions (TPTs) in solids by revising the classical band theory with the inclusion of topology. Re-evaluating the band evolution from an "atomic crystal" [a normal insulator (NI)] to a solid…
Using the density functional theory combined with dynamical mean-field theory, we have performed systematic study of the electronic structure and its band topology properties of Ce$_3$Pt$_3$Bi$_4$ and Ce$_3$Pd$_3$Bi$_4$. At high…
We present a theory of electronic properties of HgTe quantum dot and propose a strain sensor based on a strain-driven transition from a HgTe quantum dot with inverted bandstructure and robust topologically protected quantum edge states to a…
Using angle-resolved photoemission spectroscopy, we report electronic structure for representative members of ternary topological insulators. We show that several members of this family, such as Bi2Se2Te, Bi2Te2Se, and GeBi2Te4, exhibit a…