Related papers: Topological band structure transitions in honeycom…

Semimetals, in which conduction and valence bands touch but do not form Fermi surfaces, have attracted considerable interest for their anomalous properties starting with the discovery of Dirac matter in graphene and other two-dimensional…

We report calculations of the electronic structure of silicene and the stability of its weakly buckled honeycomb lattice in an external electric field oriented perpendicular to the monolayer of Si atoms. We find that the electric field…

Silicene is a monolayer of silicon atoms forming a two-dimensional honeycomb lattice, which shares almost every remarkable property with graphene. The low energy structure of silicene is described by Dirac electrons with relatively large…

We study the geometric and electronic structures of silicene monolayer using density functional theory based calculations. The electronic structures of silicene show that it is a semi-metal and the charge carriers in silicene behave like…

A systematic study of the electronic properties of single layer Sb (antimonene) nanoribbons is presented. By using a 6-orbital tight-binding Hamiltonian, we study the electronic band structure of finite ribbons with zigzag or armchair…

Atomically thin two-dimensional (2D) crystals have gained tremendous attentions owing to their potential impacts to the future electronics technologies, as well as the exotic phenomena emerging in these materials. Monolayer of {\alpha}…

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…

Antimonene is a novel two-dimensional (2D) semiconducting material of group V elements proposed in a recent literature [Zhang et al., Angew. Chem. Int. Ed. 54, 1-5 (2015)]. Using first-principles calculations, we demonstrated that the…

Motivated by the indications of high-Tc superconductivity in natural graphite enriched in the rhombohedral phase, we study the band structure of several stacking configurations that combine two of the three graphite structures as well as…

Recently a stable monolayer of antimony in buckled honeycomb structure called antimonene was successfully grown on 3D topological insulator Bi$_2$Te$_3$ and Sb$_2$Te$_3$, which displays semiconducting properties. By first principle…

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…

We study theoretically two-dimensional single-crystalline sheets of semiconductors that form a honeycomb lattice with a period below 10 nm. These systems could combine the usual semiconductor properties with Dirac bands. Using atomistic…

In crystalline systems with a superstructure, the electron dispersion can form a nontrivial covering of the Brillouin zone. It is proved that the number of sheets in this covering and its monodromy are topological invariants under ambient…

Using density functional theory, we investigate the electronic structure of the alpha phase of an antimony monolayer in its isolated form and in contact to the (111) surface of gold. We demonstrate that the isolated single-layer actually…

We have carried out detailed high resolution ARPES measurements and band structure calculations to study the electronic structure of CaMnSb$_{2}$. The observed Fermi surface mainly consists of one hole pocket around ${\Gamma}$ point and one…

The band inversions that generate the topologically non-trivial band gaps of topological insulators and the isolated Dirac touching points of three-dimensional Dirac semimetals generally arise from the crossings of electronic states derived…

In investigating the topological electronic structures of monolayer $\alpha$-phase group V elements, we uncover a new topological phase, which is invisible in the symmetry-based topological quantum chemistry (TQC) as well as symmetry…

The quasi-linear bands in the topologically trivial skutterudite insulator CoSb$_3$ are studied under adiabatic, symmetry-conserving displacement of the Sb sublattice. In this cubic, time-reversal and inversion symmetric system, a…

In this paper, we investigate the topological properties of ZrRuP and ScPd$_{3}$ using the first-principles calculations. We calculate the electronic structure, surface states, and Z$_{2}$ topological invariant. The band structure of ZrRuP…

The antiferromagnetic (AFM) semimetal YbMnSb$_2$ has recently been identified as a candidate topological material, driven by time-reversal symmetry breaking. Depending on the ordered arrangement of Mn spins below the N\'{e}el temperature,…