Related papers: Site preference and diffusion behaviors of H influ…
Density-functional calculations are presented for high-pressure structural phases of S and Se. The structural phase diagrams, phonon spectra, electron-phonon coupling, and superconducting properties of the isovalent elements are compared.…
When two-dimensional atomic layers of different materials are brought into close proximity to form van der Waals (vdW) heterostructures, interactions between adjacent layers significantly influence their physicochemical properties. These…
The CeTIn5 superconductors (T=Co, Rh, or Ir) have generated great interest due to their relatively Tc's, NFL behavior, and their proximity to AF order and quantum critical points. In contrast to small changes with the T-species, electron…
Recently, the superconducting transition temperature Tc = 287 K has been experimentally obtained in the material composed of carbon, sulfur, and hydrogen under the high pressure of 267 GPa. The material structure is unknown yet, where the…
The InSb/CdTe heterojunction structure, characterized by low effective mass and high electron mobility, exhibits interfacial energy band bending, leading to the Rashba spin-orbit coupling effect and nonreciprocal transport, which makes its…
Thin films of hydrogenated amorphous carbon (a-C:H) deposited by radio frequency plasma-enhanced chemical vapour deposition (rf-PECVD) have been studied for various applications. An interesting property of these films is their high…
Background: The influence of halo structure of $^6$He, $^8$B, $^{11}$Be and $^{11}$Li nuclei in several mechanisms such as direct reactions and fusion is already established, although not completely understood. The influence of the $^{10}$C…
Laboratory measurements of unpolarized and polarized absorption spectra of various samples and crystal stuctures of silicon carbide (SiC) are presented from 1200--35,000 cm$^{-1}$ ($\lambda \sim$ 8--0.28 $\mu$m) and used to improve the…
The superconducting transition of FeSe$_{1-x}$S$_x$ with three distinct sulphur concentrations $x$ was studied under hydrostatic pressure up to $\sim$70 kbar via bulk AC susceptibility. The pressure dependence of the superconducting…
Two-dimensional silicon carbide stands out among 2D materials, primarily due to its notable band gap, unlike its carbon-based counterparts. However, the binary nature and non-layered structure of bulk SiC present challenges in fabricating…
Silicon carbide is widely used in electronics, ceramics, and renewable energy due to its exceptional hardness and resistance. In this study, we investigate the effects of hydrostatic and uniaxial pressure (both compressive and tensile) on…
In this study, large-scale molecular dynamics simulations with the Vashishta potential and the analytic bond-order potential (ABOP) were performed to investigate the effect of extended defects on the elastic properties of cubic silicon…
We present ab-initio electronic structure calculations for the Si-terminated SiC(0001)$\sqrt{3}\times\sqrt{3}$ surface. While local density approximation (LDA) calculations predict a metallic ground state with a half-filled narrow band,…
SiC is a robust semiconductor material considered ideal for high-power application due to its material stability and large bulk thermal conductivity defined by the very fast phonons. In this paper, however, we show that both…
To clarify the cause of the low channel conductivity at the SiO2/4H-SiC interface, the wavefunction at the SiC conduction band minimum was calculated using density functional theory under an applied electric field. We found that the…
We propose and demonstrate a relaxed-SiGe/strained-Si (SiGe/s-Si) enhancement-mode gate stack for quantum dots. The enhancement-mode SiGe/s-Si structure is pursued because it spaces the quantum dot away from charge and spin defect rich…
We propose a new layered-ternary Ta4SiC3 with two different stacking sequences ({\alpha}- and {\beta}-phases) of the metal atoms along c axis and study their structural stability. The mechanical, electronic and optical properties are then…
Using density functional theory (DFT) we report results for the electronic structure and vibrational dynamics of hydrogenated {\beta} reconstructed Silicon Carbide (001) (3x2) surfaces with various levels of hydrogenation. These results…
Molecular hydrogen in silicon has been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 300 to 900 K. Interatomic…
Under conditions of limited fixed-nitrogen, some filamentous cyanobacteria develop a regular pattern of heterocyst cells that fix nitrogen for the remaining vegetative cells. We examine three different heterocyst placement strategies by…