Related papers: Two-Dimensional Semiconducting Boron Monolayers
Group V element analogues of graphene have attracted a lot attention recently due to their semiconducting band structures, which make them promising for next generation electronic and optoelectronic devices based on two-dimensional…
Recent discovery of ultrathick $\mathrm{MoSi_2N_4(MoN)_n}$ monolayers open up an exciting platform to engineer 2D material properties via intercalation architecture. Here we computationally investigate a series of ultrathick…
Silver and copper monohalides can be viewed as a class of compounds in the neutral zone between predominantly covalent and ionic compounds, thereby exhibiting neither strong ionicity nor strong covalency. We show ab initio calculation…
Density-functional calculations are used to identify one-atom-thick metallic In overlayers on the Si(111) surface, which have long been sought in quest of the ultimate two-dimensional (2D) limit of free-electron-like metallic properties. We…
The dynamics of a mobile quantum impurity in a degenerate Fermi system is a fundamental problem in many-body physics. The interest in this field has been renewed due to recent ground-breaking experiments with ultra-cold Fermi gases. Optical…
To shed new light on the mechanism of superconductivity in sodium cobalt oxide bilayer-hydrate (BLH), we perform a density functional calculation with full structure optimization for BLH and its related nonsuperconducting phase, monolayer…
Two dimensional (2D) gamma-boron ({\gamma}-B28) thin films have been firstly reported by the experiments of the chemical vapor deposition in the latest study [Tai et al., Angew. Chem. Int. Ed. 54, 1-6 (2015)]. However, their mechanical…
Rhombohedral multilayer graphene has emerged as a promising platform for exploring correlated and topological quantum phases, enabled by its Berry-curvature-bearing flat bands. While prior work has focused on separated conduction and…
The electronic structure of materials is fundamentally governed by their crystal symmetry. While most research on two-dimensional materials has focused on hexagonal lattices, such as graphene, hexagonal boron nitride, and transition metal…
Recently, two-dimensional ferromagnetic semiconductors have been an important class of materials for many potential applications in spintronic devices. Based on density functional theory, we systematically explore the magnetic and…
Discovery of the new two-dimensional (2D) Dirac semimetals incorporating both superconductivity and the topological band structure has provided a novel platform for realizing the intriguing applications of Dirac fermions and Majorana…
We report a previously unknown monolayer borophene allotrope and we call it super-B with a flat structure based on the ab initio calculations. It has good thermal, dynamical, and mechanical stability compared with many other typical…
High contact resistances have blocked the progress of devices based on MX2 (M = Mo,W; X = S,Se,Te) 2D semiconductors. Interface states formed at MX2/metal contacts pin the Fermi level, leading to sizable Schottky barriers for p-type…
We predict a new three-dimensional (3D) boron allotrope based on systematic first-principles electronic structure calculations. This allotrope can be derived by substituting each carbon atom in a hexagonal diamond lattice with a B$_{4}$…
Extreme confinement of electromagnetic energy by phonon polaritons holds the promise of strong and new forms of control over the dynamics of matter. To bring such control to the atomic-scale limit, it is important to consider phonon…
Group IV and V monolayers are very crucial 2D materials for their high carrier mobilities, tunable band gaps, and optical linear dichroism. Very recently, a novel group IV-V binary compound, Sn2Bi, has been synthesized on silicon substrate,…
Searching for two-dimensional (2D) organic Dirac materials, which have more adaptable practical applications in comparing with inorganic ones, is of great significance and has been ongoing. However, only two kinds of these materials with…
Ga2O3 is a wide-band-gap semiconductor of great interest for applications in electronics and optoelectronics. Two-dimensional (2D) Ga2O3 synthesized from top-down or bottom-up processes can reveal brand new heterogeneous structures and…
The exploration for novel two-dimensional (2D) materials with diverse electronic characteristics has attracted growing interest in recent years. Using density functional theory (DFT) calculations, we have predicted a new family of 2D…
A phase diagram for a 2D metal with variable carrier density has been derived. It consists of a normal phase, where the order parameter is absent; a so-called ``abnormal normal'' phase where this parameter is also absent but the mean number…