Related papers: Towards planar Iodine 2D crystal materials
Halide perovskites are perceived to be the promising class of materials for optoelectronics, spinorbitronics and topological electronics due to presence of strong spin-orbit coupling and polarized field. Here, we develop a Hamiltonian using…
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…
Nodal line semimetals are characterized by symmetry-protected band crossing lines and are expected to exhibit nontrivial electronic properties. Connections of the multiple nodal lines, resulting in nodal nets, chains, or links, are…
Spin-orbit coupling (SOC), the core of numerous condensed-matter phenomena such as nontrivial band gap, magnetocrystalline anisotropy, etc, is generally considered to be appreciable only in heavy elements, detrimental to the synthetization…
Perovskite structure is one of the five symmetry families suitable for exhibiting topological insulator phase. However, none of the halides and oxides stabilizing in this structure exhibit the same. Through density functional calculations…
Controlling magnetism of transition metal atoms by pairing with $\pi$ electronic states of graphene is intriguing. Herein, through first - principle computation we explore the possibility of switching magnetization by forming the…
5$d$ transition metal oxides host a variety of exotic phases due to the comparable strength of Coulomb repulsion and spin-orbit coupling. Herein, by pursuing density-functional studies on a delta-doped quasi-two-dimensional iridate…
We examine a class of Hamiltonians characterized by interatomic, interorbital even-odd parity hybridization as a model for a family of topological insulators without the need for spin-orbit coupling. Non-trivial properties of these…
We start with the silicene or germanene single-particle Hamiltonian in buckled 2D hexagonal lattices expressed in terms of Dirac matrices in the Weyl basis. The Hamiltonian of these systems comprises of the Dirac kinetic energy, a mass gap…
The 2D TI edge states are considered within the Volkov-Pankratov (VP) Hamiltonian. A smooth transition between TI and OI is assumed. The edge states are formed in the total gap of homogeneous 2D material. A pair of these states are of…
The spectrum of tight binding electrons on a square lattice with half a magnetic flux quantum per unit cell exhibits two Dirac points at the band center. We show that, in the presence of an additional uniaxial staggered potential, this pair…
In a Dirac semimetal, the conduction and valence bands contact only at discrete (Dirac) points in the Brillouin zone (BZ) and disperse linearly in all directions around these critical points. Including spin, the low energy effective theory…
Layered narrow band gap semiconductor Bi2Se3 is composed of heavy elements with strong spin-orbital coupling (SOC), which has been identified both as a good candidate of thermoelectric material of high thermoelectric figure-of-merit (ZT)…
Despite the recent progress on two-dimensional multilayer materials (2DMM) with weak interlayer interactions, the investigation on 2DMM with strong interlayer interactions is far from its sufficiency. Here we report on first-principles…
The crystal structure of layered metal IrTe2 is determined using single-crystal x-ray diffraction. At T=220 K, it exhibits Ir and Te dimers forming a valence-bond crystal. Electronic structure calculations reveal an intriguing…
The distinct over-tilting of band crossings in topological semimetal generates the type-I and typeII classification of Dirac/Weyl and nodal-line fermions, accompanied by the exotic electronic and magnetic transport properties. In this work,…
Several IV-VI semiconductor compounds made of heavy atoms, such as Pb$_{1-x}$Sn$_{x}$Te, may undergo band-inversion at the $L$ point of the Brillouin zone upon variation of their chemical composition. This inversion gives rise to…
Hybrid organic-inorganic perovskites have emerged as very promising materials for photonic applications, thanks to the great synthetic versatility that allows to tune their optical properties. In the two-dimensional (2D) crystalline form,…
Topological phase transition in a single material usually refers to transitions between a trivial band insulator and a topological Dirac phase, but the transition may also occur between different classes of topological Dirac phases.…
The electronic structure of the corundum-type transition-metal oxides V2O3 and Ti2O3 is studied by means of the augmented spherical wave method, based on density-functional theory and the local density approximation. Comparing the results…