相关论文: BAs and boride III-V alloys

The electronic band structure of Ga(PAsN) with a few percent of nitrogen is calculated in the whole composition of Ga(PAs) host using the state-of-the-art density functional methods including the modified Becke-Johnson functional to…

Boron arsenide (BAs) single crystals had been previously reported to have thermal conductivity of 1500 W/mK at room temperature. Now we achieved thermal conductivity above 2100 W/mK at room temperature in BAs crystals due to much lower…

The two-dimensional boron monolayers were reported to be metallic both in previous theoretical predictions and experimental observations, however, we have firstly found a family of boron monolayers with the novel semiconducting property as…

In this article, we report the electronic band structures of hexagonal bilayer systems, specifically, rotated graphene-graphene and boron nitride-boron nitride bilayers, by introducing an angle between the layers and forming new periodic…

GaSb:N displays promise towards realization of optoelectronic devices accessing the mid-infrared wavelength regime. Theoretical and experimental results on its electronic and optical properties are however few. To address this, we present a…

A combined experimental and theoretical study is presented of the band gap of AlInN, confirming the breakdown of the virtual crystal approximation (VCA) for the conduction and valence band edges. Composition dependent bowing parameters for…

We have studied the electrochemical performance of the delta-5 boron monolayer as an anode material for alkali metal (AM) and alkali earth metal (AEM) ion batteries using density functional theory simulations. The electronic properties,…

In$_2$Se$_3$ in the three-dimensional (3D) hexagonal crystal structure with space group $P6_1$ ($\gamma$-In$_2$Se$_3$) has a direct band gap of $\sim$1.8 eV and high absorption coefficient, making it a promising semiconductor material for…

We report on an experimental study of low temperature tunnelling in hybrid NbTiN/GaMnAs structures. The conductance measurements display a root mean square V dependence, consistent with the opening of a correlation gap in the density of…

The optical properties of BAlN and BGaN ternary alloys are investigated using first-principle calculation. Hybrid density functional theory is applied to determine the refractive indices of different alloys. A peculiar non-linear behavior…

We perform the first-principles many-body GW and Bethe-Salpeter equation (BSE) calculations on the two-dimensional hexagonal boron nitride (2D-hBN) to explore the effects of opposite atoms on the electronic structure and linear one-photon…

The conventional distinction between semiconductors and insulators is often based on the magnitude of the band gap, with materials exhibiting gaps wider than 3 eV typically classified as insulators. However, the emergence of…

First-principles calculations were performed, and the results from the study of structural, electronic and elastic properties of zincblende III-arsenide binary compounds (BAs, AlAs, GaAs and InAs) are presented. These properties have been…

The discovery of high-transition temperature (high-Tc) superconductivity near antiferromagnetism in iron arsenides raised the possibility of an unconventional superconducting mechansim1-8. The observation of clear Fermi surfaces and…

We discuss new Hubble Space Telescope spectroscopy of the radio-loud quasar, 3C 288.1. The data cover ~590 A to ~1610 A in the quasar rest frame. They reveal a wealth of associated absorption lines (AALs) with no accompanying Lyman-limit…

The addition of transition metals (TM) to III-V semiconductors radically changes their electronic, magnetic and structural properties. In contrast to the conventional semiconductor alloys, the lattice parameter in magnetic semiconductor…

For the orthorhombic intermetallic semiconductor Al$_2$Ru, the bandstructure, valence charge density, zone center optical phonon frequencies, and Born effective charge and electronic dielectric tensors are calculated using variational…

The physics of massless relativistic quantum particles has recently arisen in the electronic properties of solids following the discovery of graphene. Around the accidental crossing of two energy bands, the electronic excitations are…

We report the realization of a new multi-band-gap semiconductor. The highly mismatched alloy Zn1-yMnyOxTe1-x has been synthesized using the combination of oxygen ion implantation and pulsed laser melting. Incorporation of small quantities…

Superconducting high entropy alloys (HEAs) are new members of disordered superconductors. We report the synthesis and investigation of a new superconducting high entropy alloy Mo$_{0.11}$W$_{0.11}$V$_{0.11}$Re$_{0.34}$B$_{0.33}$ (MWVRB). It…