The first-principles band theory paradigm has been a key player not only in the process of
discovering new classes of topologically interesting materials, but also for identifying salient …

Topological materials discovery has evolved at a rapid pace over the past 15 years following
the identification of the first nonmagnetic topological insulators (TIs), topological crystalline …

Quantum spin Hall materials hold the promise of revolutionary devices with dissipationless
spin currents but have required cryogenic temperatures owing to small energy gaps. Here …

In recent days, study of topological Weyl semimetals have become an active branch of
physics and materials science because they led to realization of the Weyl fermions and …

Topological phases with insulating bulk and gapless surface or edge modes have attracted
intensive attention because of their fundamental physics implications and potential …

The intense theoretical and experimental interest in topological insulators and semimetals
has established band structure topology as a fundamental material property. Consequently …

Based on first-principles phonon and finite temperature molecular dynamics calculations
including spin-orbit coupling, we showed that free-standing single-layer phases of bismuth …

Two-dimensional (2D) materials exhibit a wide range of atomic structures, compositions, and
associated versatility of properties. Furthermore, for a given composition, a variety of …

The hallmark of a topologically insulating state of matter in two dimensions protected by time-
reversal symmetry is the existence of chiral edge modes propagating along the perimeter of …

We consider the problem of calculating the weak and strong topological indices in
noncentrosymmetric time-reversal (T) invariant insulators. In 2D we use a gauge …