Related papers: Theoretical evidence for efficient p-type doping o…
Barium hydrides are of interest for their potential in both ionic conductivity and superconductivity. Recently, a superconducting hydride BaH$_{12}$ containing H$_2$ and H${_3}^{-1}$ molecular units was experimentally reported with a…
P mono-doped and (P, N) co-doped ZnO are investigated by the first-principles calculations. It is found that substitutive P defect forms a deep acceptor level at O site (PO) and it behaves as a donor at Zn site (PZn), while interstitial P…
Electrical properties of contact to p-type nitride semiconductor devices, based on gallium nitride were simulated by ab initio and by drift-diffusion calculations. The contact electric properties are shown to be dominated by electron…
Beryllium is not destroyed as easily as Li, so the abundances of Li and Be together can tell us more about the internal physical processes in stars than either element can alone. We have obtained high-resolution (45,000) and high…
Fe doping into BaTiO3, stabilizes the paraelectric hexagonal phase in place of the ferroelectric tetragonal one [P. Pal et al. Phys. Rev. B, 101, 064409 (2020)]. We show that simultaneous doping of Bi along with Fe into BaTiO3 effectively…
The realization of $p$-type doping in wide-band-gap oxide semiconductors remains a major challenge, particularly in $\beta-Ga_2O_3$ where nitrogen has long been considered a potential acceptor dopant but has consistently failed to produce…
We have determined beryllium abundances for 25 metal-poor stars based on the high resolution and high signal-to-noise ratio spectra from the VLT/UVES database. Our results confirm that Be abundances increase with Fe, supporting the global…
Dopants of transition metal ions in II-VI semiconductors exhibit native 2+ valency. Despite this, 3+ or mixed 3+/2+ valency of iron ions in ZnO was reported previously. Several contradictory mechanisms have been put forward for explanation…
We demonstrate heavy and hyper doping of ZnO by a combination of gallium (Ga) ion implantation using a focused ion beam (FIB) system and post-implantation laser annealing. Ion implantation allows for the incorporation of impurities with…
Tungsten diselenide (WSe2) emerges as a promising thermoelectric (TE) candidate due to its high thermopower (S), cost-effectiveness, and environmentally friendly characteristics. However, pristine WSe2 exhibits limited electrical…
The most energetically favourable accommodation processes for common impurities and alloying elements in Be metal and Be-Fe-Al intermetallics were investigated using atomic scale simulations. Fe additions, combined with suitable heat…
GaN nanowire ensembles with axial InGaN multi-quantum wells (MQWs) were grown by molecular beam epitaxy. In a series of samples, we varied the In content in the MQWs from almost zero to about 20%. Within the nanowire ensemble, the MQWs…
In molecular beam epitaxy, the spontaneous formation of GaN nanowires on Si(111) substrates at elevated temperatures is limited by the long incubation time that precedes nanowire nucleation. In this work, we present three unconventional…
Growth of GaMnAs by molecular beam epitaxy is typically performed at low substrate temperatures (250C) and high As overpressures leading to the incorporation of excess As and Mn interstitials, which quench optical signals such as…
Nearly all ultrawide-bandgap oxides are affected by hole localization that limits $p$-type conductivity and thus potential applications for these materials. Highly localized holes, also known as hole polarons, trap in the vicinity of…
MoTe2 is a rare transition-metal ditelluride having two kinds of layered polytypes, hexagonal structure with trigonal prismatic Mo coordination and monoclinic structure with octahedral Mo coordination. The monoclinic distortion in the…
We performed density functional theory calculations on heterostructures of single layers of hexagonal BN and MoS$_2$ to assess the effect of doping in the BN sheet and of interstitial Na atoms on the electronic properties of the adjacent…
Thermal decomposition of wurtzite (0001)-oriented GaN was analyzed: in vacuum, under active N exposure, and during growth by rf-plasma assisted molecular beam epitaxy. The GaN decomposition rate was determined by measurements of the Ga…
Effect of uncompensated Ga-V co-doping on structural phase transition, grain growth process and optical properties of TiO2 is reported here. Inhibition of phase transition due to co-doping is confirmed by X-ray diffraction measurement.…
We realize Mn $\delta$-doping into Si and Si/Ge interfaces using Mn atomic chains on Si(001). Highly sensitive X-ray absorption fine structure techniques reveal that encapsulation at room temperature prevents the formation of silicides /…