Related papers: Two-Dimensional Semiconducting Boron Monolayers
Kagome materials are known for hosting exotic quantum states, including quantum spin liquids, charge density waves, and unconventional superconductivity. The search for kagome monolayers is driven by their ability to exhibit neat and…
It is shown that the superconducting intermetallic compound MgB2 possesses a narrow, partly filled "superconducting band" with Wannier functions of special symmetry in its band structure. This result corroborates previous observations about…
As a new type of quantum matter, Dirac node line (DNL) semimetals are currently attracting widespread interest in condensed matter physics and material science. The DNL featured by a closed line consisting of linear band crossings in the…
The discovery of archetypal two-dimensional (2D) materials provides enormous opportunities in both fundamental breakthroughs and device applications, as evident by the research booming in graphene, atomically thin transition-metal…
We propose that a half semiconducting state can exist in trigonal-prismatic transition metal dichalcogenide (TMDC) monolayers of d$^{1}$ configuration. In that state both electrons and holes are spin polarized and share the same spin…
Semiconductor superlattices may display dispersions that are degenerate either at the zone center or zone boundary. We show that they are linear upon the wave-vector in the vicinity of the crossing point. This establishes a realisation of…
In this work, we have presented a first principle simulation study on the electronic properties of MoS2/MX2/MoS2 (M=Mo or W; X=S or Se) trilayer heterostrcuture. We have investigated the effect of stacking configuration, bi-axial…
Two-dimensional (2D) materials are a new type of materials under intense study because of their interesting physical properties and wide range of potential applications from nanoelectronics to sensing and photonics. Monolayers of…
In the recent years, three-dimensional (3D) high-temperature superconductors at ultrahigh pressure have been reported, typical examples are the polyhydrides H$_{3}$S, LaH$_{10}$, and YH$_{9}$, etc. To find high-temperature superconductors…
Topological semimetals in ferromagnetic materials have attracted enormous attention due to the potential applications in spintronics. Using the first-principles density functional theory together with an effective lattice model, here we…
Two-dimensional (2D) atomic crystals, such as graphene and transition-metal dichalcogenides, have emerged as a new class of materials with remarkable physical properties. In contrast to graphene, monolayer MoS2 is a non-centrosymmetric…
It is highly desirable to search for promising two-dimensional (2D) monolayer materials for deep insight of 2D materials and applications. We use first-principles method to investigate tetragonal perovskite oxide monolayers as 2D materials.…
To obtain high-performance spintronic devices with high integration density, two-dimensional (2D) half-metallic materials are eagerly pursued all along. Here, we propose a stable 2D material with a honeycomb-kagome lattice, i.e., the Mg3C2…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
Based on first-principles study, we report the finding of a new topological semimetal LiBaBi in half-Heusler phase. The remarkable feature of this nonmagnetic, inversion-symmetry-breaking material is that it consists of only simple $s$- and…
Hyperbolic materials are natural or engineered artificial structures that provide means to manipulate and control electromagnetic radiation, leading to a variety of strong light-matter interactions at the nanoscale. In this work, we explore…
Using evolutionary algorithm and first-principles calculations, we predict a family group of two-dimensional node-line semimetals MX (M=Pd, Pt; X=S, Se, Te), which has zig-zag type mono-layer structure in Pmm2 layer group. Band structure…
The three-dimensional band structure and superconducting gap of Ba0.6K0.4Fe2As2 are studied with high-resolution angle-resolved photoemission spectroscopy. In contrast to previous results, we have identified three hole-like Fermi surfaces…
Built on a realistic multiband tight-binding model, mirror symmetry is used to map a calcium-intercalated bilayer graphene Hamiltonian into two independent single layer graphene-like Hamiltonians with renormalized hopping. The…
We present the results of fully-relaxed, full-potential electronic structure calculations for the new superconductor MgB2, and BeB2, NaB2, and AlB2, using density-functional-based methods. Our results described in terms of (i) density of…