相关论文: Dielectric constant of gray Tin: A first-principle…
Color centers in diamond have attracted much interest as candidates for optically active, solid-state quantum bits. Of particular interest are inversion-symmetric color centers based on group-IV impurities in diamond because they emit…
We present a computationally efficient method to incorporate density-functional theory into the calculation of reflectivity in low-energy electron microscopy. The reflectivity is determined by matching plane waves representing the electron…
Non-equilibrium spin-polarized transport properties of antiferromagnetic stanene nanoribbons are theoretically studied under the combining effect of a normal electric field and linearly polarized irradiation based on the tight-binding model…
We control the electronic structure of the silicon-vacancy (SiV) color-center in diamond by changing its static strain environment with a nano-electro-mechanical system. This allows deterministic and local tuning of SiV optical and spin…
Topological insulator films are promising materials for optoelectronics due to a strong optical absorption and a thickness dependent band gap of the topological surface states. They are superior candidates for photodetector applications in…
The graphene-insulator-semiconductor-structured electron source has garnered significant attention due to its high electron emission efficiency and highly monochromatic electron emission. Graphene, with its c-axis orientation and…
Chemical composition is the primary factor that determines the electronic band structure and thus also influences the optical properties of plasmonic ceramics including nitrides and oxides. In this work, the optical and plasmonic properties…
The electronic structure and chemical bonding of wurtzite-GaN investigated by N 1s soft x-ray absorption spectroscopy and N K, Ga M1, and Ga M2,3 emission spectroscopy is compared to that of pure Ga. The measurements are interpreted by…
An accurate knowledge of the optical constants (refractive index $n$ and extinction coefficient $k$) of ScN is crucial for understanding the optical properties of this binary nitride semiconductor as well as for its use in optoelectronic…
The specific band structure of graphene, with its unique valley structure and Dirac neutrality point separating hole states from electron states has led to the observation of new electronic transport phenomena such as anomalously quantized…
A numerical method for calculation electronic structure of a nanosystem composed of a pseudoisocyanine (PIC) molecule assembled on a silver nanoparticle is developed. The electronic structure of the silver nanoparticle containing 125 atoms…
We consider the effect of different approximations to the dielectric function of a silver sphere on the absorption of light by two-dimensional and three-dimensional periodic and non-periodic arrays of non-overlapping silver spheres in a…
Group-IV color centers in diamond are promising candidates for quantum networks due to their dominant zero-phonon line and symmetry-protected optical transitions that connect to coherent spin levels. The negatively charged tin-vacancy (SnV)…
We investigate the temperature effect on the electronic band structure and optical absorption property of wide-band-gap ternary nitride MgSiN$_2$ using first-principles calculations. We find that electron-phonon coupling leads to a sizable…
The electronic structure of the transparent semiconductor In2O3 has been studied by angle resolved photoemission spectroscopy upon deposition of metallic indium and also tin on the surface of the semiconductor. By deposition of metallic…
Molecular adsorption at the surface of a 2D material poses numerous questions regarding the modification to the band structure and interfacial states, which of course deserve full attention. In line with this, first-principle density…
In the present work, first-principles calculations based on the density functional theory (DFT), GW approximation and Bethe-Salpeter equation (BSE) are performed to study the electronic and optical properties of penta-graphene (PG)…
We develop a self-consistent theory describing the spin and spatial electron diffusion in the impurity band of doped semiconductors under the effect of a weak spin-orbit coupling. The resulting low-temperature spin-relaxation time and…
Based on ab initio density-functional-theory using generalized gradient approximation, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently [Ma \textit{et al.}, Nature…
A metamaterial composed of thin metallic strips as an efficient broadband absorber in the mid-infrared spectrum is investigated. Here the matching between dielectric and geometrical properties of the individual elements is critical to…