相关论文: Topological Nontrivial Phase in Hexagonal Antipero…

Recently topologically non-trivial phases have been identified in few time-reversal invariant systems that lack of inversion symmetry. Using density functional theory based first-principles calculations, we report a strong topologically…

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…

In this letter, we predict the emergence of non-trivial band topology in the family of XX'Bi compounds having $P\overline{6}2m$ (\# 189) space group. Using first principles calculations within hybrid functional framework, we demonstrate…

A unique co-existence of extremely large magnetoresistance (XMR) and topological characteristics in non-magnetic rare-earth monopnictides stimulating intensive research on these materials. Yttrium monobismuthide (YBi) has been reported to…

Topological nontrivial nature are the latest phases to be discovered in condensed matter physics with insulating bulk band gaps and topologically protected metallic surface states; they are one of the current hot topics because of their…

By first-principles calculation based on the density functional theory (DFT) with the modified Becke-Johnson local density approximation plus Hubbard U (MBJLDA+U), we studied the band structures of the Yb chalcogenides YbO and YbS under…

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…

The diamond and zinc-blende semiconductors are well-known and have been widely studied for decades. Yet, their electronic structure still surprises with unexpected topological properties of the valence bands. In this joint theoretical and…

We performed angle-resolved photoelectron spectroscopy of the Bi(111) surface to demonstrate that this surface support edge states of non-trivial topology. Along the $\bar{\Gamma}\bar{M}$-direction of the surface Brillouin zone, a…

Structural phase transitions in the organic inorganic metal halide perovskites are driven via rearrangement of methylammonium cation and distortion in the PbX6 octahedra. Compositional tuning is usually incorporated for suppression of 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…

Topological Insulators with gapless surface states and insulating bulk in non-centrosymmetric cubic systems have been extensively explored following the discovery of two-dimensional quantum spin hall effect in zincblende HgTe. In such…

Perovskite structure is one of the five symmetry families suitable for exhibiting topological insulator phase. However, none of the halides and oxides stabilizing in this structure exhibit the same. Through density functional calculations…

The transition from topologically nontrivial to a trivial state is studied by first-principles calculations on bulk zinc-blende type (Hg$_{1-x}$Zn$_x$)(Te$_{1-x}$S$_x$) disordered alloy series. The random chemical disorder was treated by…

The non-trivial topological features in the energy band of non-Hermitian systems provide promising pathways to achieve robust physical behaviors in classical or quantum open systems. A key topological feature, unique to non-Hermitian…

Using first-principles calculations we examine the band structures of ferromagnetic hexagonal manganites $\mathrm{YXO_3}$ (X=V, Cr, Mn, Fe and Co) in the nonpolar nonsymmorphic $P6_3/mmc$ space group. For $\mathrm{YVO_3}$ and…

Topological phases realized in time-reversal invariant (TRI) systems are foundational to experimental study of the broader canon of topological condensed matter as they do not require exotic magnetic orders for realization. We therefore…

The phase transition from a topological insulator to a trivial band insulator is studied by angle-resoled photoemission spectroscopy on Bi$_{2-x}$In$_{x}$Se$_{3}$ single crystals. We first report the complete evolution of the bulk band…

We show that distinct topological phases of the band structure of a non-Hermitian Hamiltonian can be classified with elements of the braid group. As the proof of principle, we consider the non-Hermitian evolution of the statistics of…

Based on first-principles calculations, we reported that external pressure can induce topological phase transition in alkaline-earth hexaborides, XB6 (X=Ca, Sr, Ba). It was revealed that XB6 is transformed from trivial semiconductors to…