Related papers: Tungsten Boride: a 2D Multiple Dirac Semimetal for…
The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…
Inspired by the growing interest in probing many-body phases in novel two-dimensional lattice geometries we investigate the properties of cold atoms as they could be observed in an optical Lieb lattice. We begin by computing Wannier…
Recently, topological quantum materials have emerged as a promising electrocatalyst for hydrogen evolution reaction (HER). However, most of their performance largely lags behind noble metals such as benchmark platinum (Pt). In this work, a…
Based on density functional theory, we have systematically studied the structural stability, mechanical properties and chemical bonding of the transition metal borides M3B4 (M=Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) for the first time. All…
A number of intriguing phenomena, including exciton condensation, orbital ordering, and emergence of chirality, have been proposed to accompany charge-density-wave (CDW) formation in the layered transition metal dichalcogenide…
This study investigates the structural, electronic, and catalytic properties of pristine and doped C$_4$N$_2$ nanosheets as potential electrocatalysts for the hydrogen evolution reaction. The pristine C$_{36}$N$_{18}$ nanosheets exhibit…
We employ the diagrammatic Monte Carlo method with a lattice path-integral formulation for both electron and phonon degrees of freedom to investigate the formation and properties of bond polarons and bipolarons on a two-dimensional…
We propose a scheme to achieve breathing kagome moir\'e superlattices using three twisted layers of transition metal dichalcogenides. In this scheme, the top and bottom layers are twisted relative to the middle layer by small angles…
The 2D semiconducting transition metal dichalcogenides (e.g., WS2) host strong coupling between various degrees of freedom leading to potential applications in next-generation device applications including optoelectronics. Such applications…
Superconductivity of a single two-dimensional Dirac fermion offers a natural route to topological superconductivity. While usually considered extrinsic -- arising from proximity to a conventional superconductor -- we investigate when a…
We propose a lattice model for the realization of exotic quartic semi-Dirac fermions, i.e. quasiparticles exhibiting a dispersion with quartic momentum dependence in a given direction, and a linear dependence in the perpendicular direction.…
The three dimensional (3D) Dirac semimetal, which has been predicted theoretically, is a new electronic state of matter. It can be viewed as 3D generalization of graphene, with a unique electronic structure in which conduction and valence…
Three dimensional topological Dirac semi-metals represent a novel state of quantum matter with exotic electronic properties, in which a pair of Dirac points with the linear dispersion along all momentum directions exist in the bulk. Herein,…
We report a theoretical study of dielectric properties of models of amorphous Boron Nitride, using interatomic potentials generated by machine learning. We first perform first-principles simulations on small (about $100$ atoms in the…
New developments in the field of topological matter are often driven by materials discovery, including novel topological insulators, Dirac semimetals and Weyl semimetals. In the last few years, large efforts have been performed to classify…
Altermagnets provide a natural platform for studying and exploiting piezomagnetism. In this paper, we introduce a class of insulating altermagnets in two dimensions (2D) referred to as Dirac quadrupole altermagnets, and show based on…
We report the crystal and electronic structures of a non-centrosymmetric quasi-two-dimensional (2D), candidate of topological semimetal AuTe2Br. The Fermi surface of this layered compound consists of 2D-like, topological trivial electron…
We predicted that AMgBi (A=K,Rb Cs), which have the same lattice structures as the 111 family of iron-based superconductors (Na/LiFeAs), are symmetry-protected Dirac semimetals located near the boundary of type-I and type-II Dirac semimetal…
Honeycomb structures of group IV elements can host massless Dirac fermions with non-trivial Berry phases. Their potential for electronic applications has attracted great interest and spurred a broad search for new Dirac materials especially…
The interband optical absorption of linearly polarised light by two-dimensional (2D) semimetals hosting tilted and anisotropic Dirac cones in the bandstructure is analysed theoretically. Super-critically tilted (type-II) Dirac cones are…