相关论文: Ab initio shallow acceptor levels in gallium nitri…

Raman measurements are performed on defect-free wurzite GaP nanowires. Resonance Raman measurements are carried out over the excitation energy range between 2.19 and 2.71 eV. Resonances at 2.38 eV and 2.67 eV of the E1(LO) mode and at 2.67…

First-principles calculations reveal that the adsorption of representative first-row atoms with different electronegativity, such as lithium (Li), carbon (C) and fluorine (F), on zigzag single-walled boron nitride nanotubes (BNNTs) exhibits…

We measured the temperature dependence of photoluminescence involved with the metastability of unintentionally doped GaN. Reaction energy U of donor atom is 0.1eV and shallow donor is more stable than deep center. The impurity transition…

Thick metamorphic buffers are perceived to be indispensable for the heteroepitaxial integration of III-V semiconductors on silicon substrates with large thermal expansion and lattice mismatches. However, III-nitride buffers in conventional…

While being of persistent interest for the integration of lattice-matched laser devices with silicon circuits, the electronic structure of dilute nitride III/V-semiconductors has presented a challenge to ab initio computational approaches.…

GaN(0001) surfaces with Ga- and H-adsorbates are fundamental stages for epitaxial growth of semiconductor thin films. We explore stable surface structures with nanometer scale by the density-functional calculations combined with Bayesian…

A remarkable progress towards functional ferromagnetic semiconductor materials for spintronics has been achieved in p-type (Ga,Mn)As. Robust hole-mediated ferromagnetism has, however, been observed also in other III-V hosts such as…

We report accurate energetics of defects introduced in GaN on doping with divalent metals, focussing on the technologically important case of Mg doping, using a model which takes into consideration both the effect of hole localisation and…

By comparing the widths of absorption lines from OI, SiII and FeII in the redshift z=2.076 single-component damped Lyman alpha absorption system in the spectrum of Q2206-199 we establish that these absorption lines arise in Warm Neutral…

Magnesium alanate Mg(AlH4)2 has recently raised interest as a potential material for hydrogen storage. We apply ab initio calculations to characterize structural, electronic and energetic properties of Mg(AlH4)2. Density functional theory…

At interfaces between insulating oxides LaAlO$_3$ and SrTiO$_3$, a two dimensional electron gas (2DEG) has been observed and well studied, while the predicted hole gas (2DHG) has not been realized due to the strong tendency of holes in…

HoSbTe was predicted to be a weak topological insulator, whose spin-orbit coupling (SOC) gaps are reported to be as large as hundreds of meV. Utilizing infrared spectroscopy, we find that the compound is of metallic nature from 350 K down…

We report the low temperature carrier transport properties of a series of nominally uncompensated neutron-transmutation doped (NTD) ^{70} Ge:Ga samples very close to the critical concentration N_c for the metal-insulator transition. The…

We report the first quasiparticle calculations of the newly observed wurtzite polymorph of InAs and GaAs. The calculations are performed in the GW approximation using plane waves and pseudopotentials. For comparison we also report the study…

We investigate the effect of basal-plane stacking faults on the structural, electronic, and polarization properties of wurtzite GaN and ZnO. This theoretical study is performed within density-functional theory (DFT) using periodic hexagonal…

The energy spectrum of vacancies in n-type bulk crystals of undoped arsenides: InAs, GaAs, CdSnAs2 and CdGeAs2 has been investigated upon the data on pressure and temperature dependences of kinetic coefficients. It is concluded, that deep…

We use first-principles calculations based on many-body perturbation theory to investigate the near-edge electronic and optical properties of \b{eta}-Ga2O3. The fundamental band gap is indirect, but the minimum direct gap is only 29 meV…

We have carried out optical-absorption and reflectance measurements at room temperature in single crystals of AWO4 tungstates (A = Ba, Ca, Cd, Cu, Pb, Sr, and Zn). From the experimental results their band-gap energy has been determined to…

A report of progress in spintronics-related works involving group III nitrides is given emphasizing contradictory opinions concerning basics characteristics of these materials. The actual position of magnetic impurities in the GaN lattice…

Warm absorber (WA) is an ionised gas present in the line of sight to the AGN central engine. The effect of the absorber is imprinted in the absorption lines observed in X-ray spectra of AGN. In this work, we model the WA in Seyfert 1 galaxy…