相关论文: Atomically-thin metallic Si and Ge allotropes with…

In recent years, researchers have manifested their interest in the two-dimensional (2D) mono-elemental materials of group-VI elements because of their excellent optoelectronic, photovoltaic and thermoelectric properties. Despite the…

Ge$_{1-x}$Fe$_{x}$ (Ge:Fe) shows ferromagnetic behavior up to a relatively high temperature of 210 K, and hence is a promising material for spintronic applications compatible with Si technology. We have studied its electronic structure by…

Monochalcogenides of germanium (or tin) are considered as stable isoelectronic and isostructural analogue of black phosphorous. Their two-dimensional (2D) forms have been just predicted to shown strong thickness-dependent physical…

We study characteristic electronic structures in an extended martini lattice model and propose its materialization in $\pi$-electron networks constructed by designated chemisorption on graphene and silicene. By investigating the minimal…

Low-buckled silicene, germanene, and stanene are group$-IV$ graphene allotropes. They form a honeycomb lattice out of two interpenetrating ($A$ and $B$) triangular sublattices that are vertically separated by a small distance $\Delta_z$.…

Existence of van der Waals gaps renders two-dimensional (2D) materials ideal passages of lithium for being used as anode materials. However, the requirement of good conductivity significantly limits the choice of 2D candidates. So far only…

Non-symmorphic materials have recently been predicted to exhibit many different exotic features in their electronic structures. These originate from forced band degeneracies caused by the non-symmorphic symmetry, which not only creates the…

Weyl and Dirac semimetals are three dimensional phases of matter with gapless electronic excitations that are protected by topology and symmetry. As three dimensional analogs of graphene, they have generated much recent interest. Deep…

The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi Surface nesting of hole and electron pockets when in the…

2D materials have intriguing quantum phenomena that are distinctively different from their bulk counterparts. Recently, epitaxially synthesized wafer-scale 2D metals, composed of elemental atoms, are attracting attention not only for their…

Two-dimensional (2D) materials may exhibit intriguing band structure features (e.g., Dirac points), that lay far away from the Fermi level. They are, thus, not usable in applications. The semiconducting 2D material PC6 has two Dirac cones…

We report electrical measurements on hexagonal silicon-germanium (hex-SiGe), a group IV alloy with direct bandgap. Electrical contacts are formed by metal alloying and doping is achieved using ion implantation. The metastable hex-SiGe phase…

With first principles calculations, we predict a novel stable 2D layered structure for group VI elements Se and Te that we call square selenene and square tellurene, respectively. They have chair-like buckled structures similar to other…

High-purity germanium (Ge) has re-emerged as a versatile semiconductor platform for spin-based quantum information processing because it combines mature materials processing, access to spin-free isotopes, high mobilities, small effective…

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…

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…

Half-metals are a class of materials that are metallic only for one spin direction, and are essential for spintronics applications where one needs to read, write, store and transfer spin-data. This spin sensitivity appears to restrict them…

Strained Ge ($\epsilon$-Ge) and strained Si ($\epsilon$-Si) buried quantum wells have enabled advanced spin-qubit quantum processors. However, in the absence of suitable lattice-matched substrates, $\epsilon$-Ge and $\epsilon$-Si are…

Group-V elemental monolayers including phosphorene are emerging as promising 2D materials with semiconducting electronic properties. Here, we present the results of first principles calculations on stability, mechanical and electronic…

We present a first-principles study of the electronic properties of silicon clathrate nanowires intercalated with various types of alkali or alkaline-earth atoms. We find that the band structure of the nanowires can be tuned by varying the…