Related papers: Ab initio shallow acceptor levels in gallium nitri…
The sub-gap density of states of amorphous indium gallium zinc oxide ($a$-IGZO) is obtained using the ultrabroadband photoconduction (UBPC) response of thin-film transistors (TFTs). Density functional theory simulations classify the origin…
Relaxations at nonpolar surfaces of III-V compounds result from a competition between dehybridization and charge transfer. First principles calculations for the (110) and (10$\bar{1}$0) faces of zincblende and wurtzite AlN, GaN and InN…
Using hybrid density functional theory, we investigated formation energies and transition energies of possible donor-like defects in GaInO3, with the aim of exploring the sources of the experimentally observed n-type conductivity in this…
Electrical properties of contact to p-type nitride semiconductor devices, based on gallium nitride were simulated by ab initio and by drift-diffusion calculations. The contact electric properties are shown to be dominated by electron…
Ab initio electronic structure studies of prototypical polar interfaces of wurtzite III-V nitrides show that large uniform electric fields exist in epitaxial nitride overlayers, due to the discontinuity across the interface of the…
The charge dynamics of hydrogen-like centers formed by the implantation of energetic (4 MeV) muons in semi-insulating GaAs have been studied by muon spin resonance in electric fields. The results point to the significant role of deep hole…
Density functional theory calculations are used to show that it is possible to dope semiconducting transition metal dichalcogenides (TMD) such as MoS$_2$ and WS$_2$ with electrons and/or holes either by chemical substitution or by…
The Nitrogen 1s near edge X-ray absorption fine structure (NEXAFS) of gallium nitride (GaN) shows a strong natural linear dichroism that arises from its anisotropic wurtzite structure. An additional spectroscopic variation arises from…
We present a complete catalogue of 27 O VI absorbers at low redshift (0.12 < z < 0.5) from a blind survey of 16 QSO echelle spectra in the HST/STIS data archive. These absorbers are identified based only upon matching line profiles and the…
Optimal mechanical impact absorbers are reusable and exhibit high specific energy absorption. The forced intrusion of liquid water in hydrophobic nanoporous materials, such as zeolitic imidazolate frameworks (ZIFs), presents an attractive…
Many-body interactions can produce novel ground states in a condensed-matter system. For example, interacting electrons and holes can spontaneously form excitons, a neutral bound state, provided that the exciton binding energy exceeds the…
Polarization arising from non-centrosymmetric wurtzite lattice underpins the physics and functionality of gallium nitride (GaN)-the most produced semiconductor materials second only to silicon. However, recent direct experimental…
The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN are calculated. The total energy is evaluated with the self-interaction corrected local spin density approximation, by which several configurations…
We study the electronic and structural properties of substitutional impurities of graphenelike nanoporous materials C$_2$N, $tg$-, and $hg$-C$_3$N$_4$ by means of density functional theory calculations. We consider four types of impurities;…
The performance of GaN-on-Silicon electronic devices is severely degraded by the presence of a parasitic conduction pathway at the nitride-substrate interface which contributes to switching losses and lower breakdown voltages. The physical…
Here we report on detailed studies of the magnetic properties of the wurtzite (Ga,Mn)As cylindrical shells. Ga$_{0.94}$Mn$_{0.06}$As shells have been grown by molecular beam epitaxy at low temperature as a part of multishell cylinders…
Achieving efficient n-type doping in AlN, a representative ultrawide bandgap (UWBG) semiconductor, remains a longstanding challenge that limits its application in high-power electronics and deep-ultraviolet optoelectronics. Conventional…
Present work investigates the structural, electronic and magnetic properties of wurtzite (0001) GaN nanowires (NWs) doped with Gd and point defects by employing the GGA+U approximation. We find that Ga vacancies (VGa) exhibit lower…
Ab initio self-consistent total energy calculations using second order Moller-Plesset perturbation theory and Hay-Wadt effective core potentials for gallium and arsenic have been used to investigate the chemisorption of atomic oxygen on the…
We report on a monotonic reduction of Curie temperature in dilute ferromagnetic semiconductor (Ga,Mn)As upon a well controlled chemical-etching/oxidizing thinning from 15 nm down to complete removal of the ferro- magnetic response. The…