相关论文: Strain induced topological phase transitions in mo…

Using first-principles calculations, we systematically investigate the electronic structures and band topologies of four kinds of group-V elemental (P, As, Sb and Bi) monolayers with buckled honeycomb structure. It is found that all these…

Topological phase transition is a hot topic in condensed matter physics and computational material science. Here, we investigate the electronic structure and phonon dispersion of the two-dimensional (2D) platinum ditelluride ($PtTe_2$)…

Low-buckled silicene is a prototypical quantum spin Hall insulator with the topological quantum phase transition controlled by an out-of-plane electric field. We show that this field-induced electronic transition can be further tuned by an…

An effective tight-binding (TB) Hamiltonian for monolayer GeSnH$_2$ is proposed which has an inversion-asymmetric honeycomb structure. The low-energy band structure of our TB model agrees very well with previous {\it ab initio} calculations…

Employing ab initio electronic calculations, we propose a new type of two-dimensional (2D) topological insulator (TI), monolayer (ML) low buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gaps. Monolayer…

Using first-principles plane wave calculations, we investigate two dimensional honeycomb structure of Group IV elements and their binary compounds, as well as the compounds of Group III-V elements. Based on structure optimization and phonon…

Heterostructures of stacked two-dimensional lattices have shown great promise for engineering novel material properties. As an archetypal example of such a system, the hexagon-shared honeycomb-kagome lattice has been experimentally…

Using first-principles full-potential density functional calculations, we predict that mechanically tunable band-gap is realizable in ZnS monolayer in graphene-like honeycomb structure by application of in-plane homogeneous biaxial strain.…

Although many possible two-dimensional (2D) topological insulators (TIs) have been predicted in recent years, there is still lack of experimentally realizable 2D TI. Through first-principles and tight-binding simulations, we found an…

Ferromagnetic honeycomb systems are known to exhibit a magnonic topological phase under the existence of the next-nearest neighbor Dzyaloshinskii-Moriya interaction (DMI). Motivated by the recent progress in the sublattice-specific control…

We investigate topological phases in two-dimensional Bi/Sb honeycomb crystals considering planar, buckled, freestanding and deposited on a substrate structures. We use the multi-orbital tight-binding model and compare results with density…

In recent years, materials with topological flat bands have attracted significant attention due to their association with extraordinary transport properties and strongly correlated electrons. Yet, generic principles linking lattice…

Materials with honeycomb lattice structures exhibit unique electronic properties arising from their distinctive atomic arrangements. Their weakly coupled nature facilitates modulation by external stimuli, which leads to a diverse range of…

Low-buckled silicene, germanene, and stanene are group$-IV$ graphene allotropes. They form a honeycomb lattice out of two interpenetrating ($A$ and $B$) triangular sublattices that are vertically separated by a small distance $\Delta_z$.…

A pseudo honeycomb system Li2RuO3 exhibits a second-order-like transition at temperature T=Tc=540 K to a low-T nonmagnetic phase with a significant lattice distortion forming Ru-Ru pairs. For this system, we have calculated the band…

Topological insulators are a class of band insulators with non-trivial topology, a result of band inversion due to the strong spin-orbit coupling. The transition between topological and normal insulator can be realized by tuning the…

We report the recent progress on the theoretical aspects of monolayer topological insulators including silicene, germanene and stanene, which are monolayer honeycomb structures of silicon, germanium and tin, respectively. They show quantum…

Two-dimensional electron dispersions with peculiar band crossings provide a platform for realizing topological phases of matter. Here we theoretically show that the $e_g$-orbital manifold of honeycomb-layered transition metal compounds…

Based on fully relativistic first-principles calculations, we studied the topological properties of layered XIn$_2$P$_2$ (X = Ca, Sr). Band inversion can be induced by strain without SOC, forming one nodal ring in the k$_z$ = 0 plane, which…

In the field of 2D materials, transition metal dichalcogenides (TMDs) are gaining attention for electronic applications. Our study delves into the H-phase monolayer VS$_2$ of the TMD family, analyzing its electronic structure and how strain…