相关论文: Two-Dimensional Boron Oxides with Dirac Loop and S…
Dirac semi-metal with magnetic atoms as constituents delivers an interesting platform to investigate the interplay of Fermi surface (FS) topology, electron correlation, and magnetism. One such family of semi-metal is YbMn$Pn_2$ ($Pn$ = Sb,…
2D materials are well-known to exhibit interesting phenomena due to quantum confinement. Here, we show that quantum confinement, together with structural anisotropy, result in an electric-field-tunable Dirac cone in 2D black phosphorus.…
We adopt a global optimization method to predict two-dimensional (2D) nanostructures through the particle-swarm optimization (PSO) algorithm. By performing PSO simulations, we predict new stable structures of 2D boron-carbon (B-C) compounds…
Recently, a 2D orthorhombic silver-organic framework, Ag3C20 monolayer, was synthesized by assembling organic molecules linked with multiple aryl-metal bonds. Herein, via first-principles study, we demonstrate that owing to the unique…
It is highly desirable to combine recent advances in the topological quantum phases with technologically relevant materials. Chromium dioxide (CrO2) is a half-metallic material, widely used in high-end data storage applications. Using first…
We report a unified theory based on linear response, for analyzing the longitudinal optical conductivity (LOC) of materials with tilted Dirac cones. Depending on the tilt parameter $t$, the Dirac electrons have four phases: untilted,…
MoS$_2$, a member of transition metal dichalcogenides (TMDs), recently emerged as one of the fastest growing two-dimensional materials due to its fascinating mechanical, thermal, electronic and optical properties. Unlike graphene which…
The transport and thermodynamic properties of $\beta$-ReO$_{2}$ crystallizing in a nonsymmorphic structure were studied using high-quality single crystals. An extremely large magnetoresistance (XMR) reaching 22,000 $\%$ in a transverse…
BaMg2Bi2 is a Dirac semimetal characterized by a simple Dirac cone crossing the Fermi level at the center of the Brillouin zone, protected by C3 rotational symmetry. Together with its Sr-based analogue SrMg2Bi2, it has been proposed as a…
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…
Several layered transition metal borides can now be realized by a simple and general fabrication method [Fokwa et al.,Adv. Mater. 2018, 30, 1704181],inspiring our interest to transition metal borides monolayer. Here, we predict a new…
Principles of design to create dynamically stable transition metal, lanthanide, and actinide based low-dimensional borides are presented. A charge transfer analysis of donor metal atoms to electron deficient honeycombed B lattices allows to…
Characterizing and accessing quantum phases of itinerant bosons or fermions in two dimensions (2D) that exhibit singular structure along surfaces in momentum space but have no quasi-particle description remains as a central challenge in the…
Owing to the fascinating physical characteristics of two-dimensional (2D) materials and their heterostructure, much effort has been devoted to exploring their basic physical properties as well as discovering other novel 2D materials.…
Since the first realization of borophene on Ag(111), two-dimensional (2D) boron nanomaterials have attracted significant interest due to their polymorphic diversity and potential for hosting solid-state quantum phenomena. Here, we use…
The existence of two novel hybrid two-dimensional (2D) monolayers, 2D B3C2P3 and 2D B2C4P2, has been predicted based on the density functional theory calculations. It has been shown that these materials possess structural and thermodynamic…
The search of new superhard materials has received a strong impulse by industrial demands for low-cost alternatives to diamond and $c$-BN, such as metal borides. In this Letter we introduce a new family of superhard materials, "fused…
The optical conductivity of the new Dirac semimetal candidate Ir$_2$In$_8$Se is measured in a frequency range from 40 to 30000 cm$^{-1}$ at temperatures from 300 K down to 10 K. The measurement reveals that the compound is a low carrier…
Mo2P as a new member of the advancing two-dimensional (2D) materials family has been theoretically identified in this study. We conducted extensive density functional theory calculations to explore the crystal structure, dynamical…
We predict a two-dimensional (2D) antiferromagnetic (AFM) boron (designated as M-boron) by using ab initio evolutionary methodology. M-boron is entirely composed of B20 clusters in a hexagonal arrangement. Most strikingly, the highest…