Using relativistic spin-polarized density functional theory calculations we investigate
magnetism, electronic structure and topology of the ternary thallium gadolinium …

The transition metal dichalcogenides, 2H‐VX2 (X= S, Se, Te), are identified as two‐
dimensional second‐order topological insulator (SOTI) with a ferromagnetic ground state by …

So far, several transition metal dichalcogenide (TMDC)–based two-dimensional (2D)
topological insulators (TIs) have been discovered, all of them based on a tetragonal lattice …

By means of a ternary chemical potential phase diagram and phonon spectrum calculations,
we propose that M Tl 4 Te 3 (M= Cd, Hg), which are derivatives of Tl 5 Te 3, are …

First-principles calculations have been performed to study the energetic, electronic, and
magnetic properties of substitutional 3d transition metal dopants in monoclinic transition …

Single layered transition metal dichalcogenides have attracted tremendous research interest
due to their structural phase diversities. By using a global optimization approach, we have …

Three-dimensional (3D) topological insulator (TI) has emerged as a unique state of quantum
matter and generated enormous interests in condensed matter physics. The surfaces of a 3D …

After the discovery of three-dimensional topological insulators (TIs), such as tetradymite
chalcogenides Bi $ _2 $ Se $ _3 $, Bi $ _2 $ Te $ _3 $ and Sb $ _2 $ Te $ _3 $–a new class …

For decades, topological insulators have played a pivotal role in fundamental condensed-
matter physics owing to their distinctive edge states and electronic properties. Here, based …

Topological materials are very promising materials for technological applications ranging
from spintronics to quantum computation. Here, based on first-principles calculations, we …