Related papers: Acceptor and donor impurities in GaN nanocrystals
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…
Adsorption of ammonia at NH3/NH2/H covered GaN(0001) surface was analyzed using results of ab initio calculations. The whole configuration space of partially NH3/NH2/H covered GaN(0001) surface was divided into zones differently pinned…
We report on spectroscopy of a single dopant atom in silicon by resonant tunneling between source and drain of a gated nanowire etched from silicon on insulator. The electronic states of this dopant isolated in the channel appear as…
We report results of quantum efficiency (QE) measurements carried out on a 150 nm thick nitrogen-incorporated ultrananocrystalline diamond terminated with hydrogen; abbreviated as (N)UNCD:H. (N)UNCD:H demonstrated a QE of $\sim$10$^{-3}$…
(La and Ga)-doped tin monoxide (stannous oxide, tin (II) oxide, SnO) thin films were grown by plasma-assisted and suboxide molecular beam epitaxy with dopant concentrations ranging from $\approx5\times10^{18}$cm$^{-3}$ to…
A density functional study is presented of the interstitial Zn$_i$, Ge$_i$, and N$_i$ in ZnGeN$_2$. Corrections to the band gap are included by means of the LDA+U method. The Zn and Ge interstitials are both found to strongly prefer the…
Nanowire quantum dots, i.e., heterostructures consisting of an axial insertion of low bandgap semiconductor within large band gap semiconductor nanowire, attract interest due to their emerging applications in the field of quantum…
Using density functional theory calculations, we have examined the structural stability, electronic, magnetic and optical properties of rectangular shaped quantum dots (QDs) of graphene (G), Boron Nitride (BN) and their hybrids. Different…
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…
We present results of magneto-optical measurements and theoretical analysis of shallow bound exciton complexes in bulk ZnO. Polarization and angular dependencies of magneto-photoluminescence spectra at 5 T suggest that the upper valence…
Sodium atoms and clusters (N<5) on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 A above the surface with an…
Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopical…
Oxygen defective cerium oxides exhibits a non classical giant electromechanical response that is superior to lead based electrostrictors. In this work, we report the key role of acceptor dopants, with different size and valence Mg2+, Sc3+,…
Soft-X-ray emission and absorption spectroscopies with their elemental specificity are used to determine the local electronic structure of N atoms in Ga(In)AsN diluted semiconductor alloys (N concentrations about 3%) in view of applications…
The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of transition metal (TM=Mn, Co) impurities in p-type ZnO. Based on the total energy considerations, we find a…
Metal oxide nanostructures are widely used in energy applications like super capacitors and Li-on battery. Smaller size nanocrystals show better stability, low ion diffusion time, higher-ion flux and low pulverization than bigger size…
The nonlinear spin-dependent transport properties in zigzag graphene nanoribbons (ZGNRs) edge doped by an atom of group III and V elements are studied systematically using density functional theory combined with non-equilibrium Greens…
Attaining low resistivity AlGaN layers is the keystone to improve the efficiency of light emitting devices in the ultraviolet spectral range. Here, we present a microstructural analysis of Ge-doped AlGaN samples with Al mole fraction from…
The influence of Co2+ ions on the homogeneous nucleation of ZnO is examined. Using electronic absorption spectroscopy as a dopant-specific in situ spectroscopic probe, Co2+ ions are found to be quantitatively excluded from the ZnO critical…
Mn doped semiconductors are extremely interesting systems due to their novel magnetic properties suitable for the spintronics applications. It has been shown recently by both theory and experiment that Mn doped GaN systems have a very high…