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We use first-principles simulation and virtual crystal approximation to reveal the unique double band inversion and topological phase transition in Ge1-xSnx alloys. Wavefunction parity, spatial charge distribution and surface state spectrum analyses suggest that the band inversion in Ge1-xSnx is relayed by its first valence band. As the system evolves from Ge to {alpha}-Sn, its conduction band moves down, and inverts with the first and the second valence bands consecutively. The first band inversion makes the system nontrivial, while the second one does not change the topological invariant of the system. Both the band
The recent discovery of a topological phase transition in IV-VI narrow-gap semiconductors has revitalized the decades-old interest in the bulk band inversion occurring in these materials. Here we systematically study the (001) surface states of Pb{1-
Using ab initio tight-binding approaches, we investigate Floquet band engineering of the 1T phase of transition metal dichalcogenides (MX2, M = W, Mo and X = Te, Se, S) monolayers under the irradiation with circularly polarized light. Our first princ
Perovskite oxides ABO$_3$ containing heavy B-site elements are a class of candidate materials to host topological metals with a large spin-orbit interaction. In contrast to the band insulator BaSnO$_3$, the semimetal BaPbO$_3$ is proposed to be a typ
The characteristics of topological insulators are manifested in both their surface and bulk properties, but the latter remain to be explored. Here we report bulk signatures of pressure-induced band inversion and topological phase transitions in Pb$_{
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 interaction or the crystal lattice via odd number of band