Crystal structure predictions based on first-principles calculations have gained great
success in materials science and solid state physics. However, the remaining challenges …

Crystal structure prediction algorithms have become powerful tools for materials discovery in
recent years, however, they are usually limited to relatively small systems. The main …

Great progress has been achieved in the research field of topological states of matter during
the past decade. Recently, a quasi–1-dimensional bismuth bromide, Bi4Br4, has been …

Bismuth halogenides, a family of quasi-one-dimensional (1D) materials, including α and α
phases of Bi4Br4 and Bi4I4, have been predicted to exhibit rich and interesting topological …

Anisotropy often yields unexpected structures and properties in the solid state. In van der
Waals (vdW) solids comprised of 1D or quasi-1D (q-1D) building blocks, anisotropy in both …

ABSTRACT Bismuth bromide (a-Bi4Br4) can demonstrate various exotic topological states,
including higher-order topological insulator with hinge states and quantum spin Hall …

Quasi-1D materials Bi $ _ {4} $ X $ _ {4} $(X= Br, I) are prototype weak topological insulators
(TI) in the $\beta $ phase. For the $\alpha $ phases, recent high-throughput database …

Massive Dirac fermions, which are essential for realizing novel topological phenomena, are
expected to be generated from massless Dirac fermions by breaking the related symmetry …

Based on crystal structural search and ab initio calculations, we report pressure-induced
structural and electronic phase transitions for the semiconductor indium tellurium iodine …

We apply a topological material design concept for selecting a bulk topology of 3D crystals
by different van der Waals stackings of 2D topological insulator layers, and find a bismuth …