Related papers: Be and Be-related impurities in diamond: density f…
It is suggested that the substitutional nitrogen in diamonds bonded to three of the surrounding carbon atoms instead of four. This proposed electron configuration of the defect is deduced from previous experiments and theoretical…
The structural, electronic and the bonding properties of the Sn-BEA are investigated by using the periodic density functional theory. Each of the 9 different T-sites in the BEA were substituted by the Sn atom and all the 9 geometries were…
In recent years, nanostructures with hexagonal polytypes of gold have been synthesised, opening new possibilities in nanoscience and technology. As bulk gold crystallizes in the \textit{fcc} phase, surface effects can play an important role…
An extensive beryllium abundance analysis was conducted for 118 solar analogs (along with 87 FGK standard stars) by applying the spectrum synthesis technique to the near-UV region comprising the Be II line at 3131.066 A, in an attempt to…
Muonium (Mu), a bound state of a positively charged muon and an electron, can diffuse through crystal lattices and interact with defect centers in insulators and semiconductors. We demonstrate that this Mu's diffusive property can be used…
Using a density functional method, we investigate the properties of liquid 4He droplets doped with atoms (Ne and Xe) and molecules (SF_6 and HCN). We consider the case of droplets having a quantized vortex pinned to the dopant. A liquid…
We present a first-principles study of the electronic, magnetic, and transport properties of the topological insulator Bi$_{2}$Te$_{3}$ doped with Mn atoms in substitutional (Mn$_{\rm Bi}$) and interstitial van der Waals gap positions…
We theoretically investigate ferromagnetic ordering in magnetically doped solid-solution narrow-gap semiconductors with the strong spin-orbit interaction such as Cr-doped Bi$_2$(Se$_x$Te$_{1-x}$)$_3$. We compute the spontaneous…
Using first-principles density functional theory calculations, combined with a topological analysis, we have investigated the electronic properties of $Cd_3As_2$ and $Na_3Bi$ Dirac topological semimetals doped with non-magnetic and magnetic…
In the present paper, we investigate the structural, thermodynamic, dynamic, elastic, and electronic properties of doped 2D diamond C$_4$X$_2$ (X = B or N) nanosheets in both AA$'$A$''$ and ABC stacking configurations, by first-principles…
Diamond is a promising material for high-power electronic applications in both the dc and rf domains. However, the predicted advantages are yet to be realized for a number of technical challenges. In particular, n-type devices have not been…
Transition-metal doping enables the introduction of spin functionality into halide double perovskites, while simultaneously modifying optical properties. Here, we combine controlled single-crystal growth, optical characterization,…
Control of dopants in silicon remains the most important approach to tailoring the properties of electronic materials for integrated circuits, with Group V impurities the most important n-type dopants. At the same time, silicon is finding…
The effect of doping of cubic boron nitride with beryllium, silicon, sulfur and magnesium on the lattice parameters, electrical conductivity and EPR spectra has been studied. It is established that the degree of doping increases…
Irradiation with Pb ions was used to study the effect of disorder on the in-plane London penetration depth, $\lambda(T)$, in single crystals of Ba(Fe$_{1-x}$T$_x$)$_2$As$_2$ (T=Co, Ni). An increase of the irradiation dose results in a…
Density functional methods have been used to study the crystal, electronic and magnetic structures of new ordered double perovskites A2NRuO6 (A2 = Ba2, BaLa; N = V, Cr, Fe). In the doped compounds, the A-site was replaced by 1:1 of Ba and…
Doping Bi$_2$Se$_3$ by magnetic ions represents an interesting problem since it may break the time reversal symmetry needed to maintain the topological insulator character. Mn dopants in Bi$_2$Se$_3$ represent one of the most studied…
Stanene is a quantum spin hall insulator and a promising material for electronic and optoelectronic devices. Density functional theory (DFT) calculations are performed to study the band gap opening in stanene by elemental mono- (B, N) and…
The surface content of lithium (Li) and beryllium (Be) in stars can reveal important information about the temperature structure and physical processes in their interior regions. This study focuses on solar-type stars with a sample that is…
Diamond is an outstanding semiconductor for extreme electronics, yet reproducible n-type doping remains a long-standing challenge. Here we demonstrate stable n-type single-crystal diamond grown in a single step by a precisely controlled…