Related papers: Segregation of impurities in GaAs and InAs nanowir…
In this paper some specific issues related to point defects in GaAs nanowires are addressed with the help of density functional theory calculations. These issues mainly arise from the growth of nanowires under conditions different from…
The minimum energy paths for the migration of interstitial Mg in wurtzite GaN are studied through density functional calculations. The study also comprises Li, Na, and Be dopants to examine the dependence on size and charge of the dopant…
The structural and optical properties of 3 different kinds of GaAs nanowires with 100% zinc-blende structure and with an average of 30% and 70% wurtzite are presented. A variety of shorter and longer segments of zinc-blende or wurtzite…
GaAs nanowires (NWs) grown by molecular-beam epitaxy may contain segments of both the zincblende (ZB) and wurtzite (WZ) phases. Depending on the growth conditions, we find that optical emission of such NWs occurs either predominantly above…
Incorporation of Bi into GaAs-(Ga,Al)As-Ga(As,Bi) core-shell nanowires grown by molecular beam epitaxy is studied with transmission electron microscopy. Nanowires are grown on GaAs(111)B substrates with Au-droplet assisted mode. Bi-doped…
In this paper we present a detailed analysis of the atomic and electronic structure of GaAs nanowires using first-principles pseudopotential calculations. We consider six different types of nanowires with different diameters all grown along…
Defect energy formation, lattice distortions and electronic structure of cubic In2O3 with Sn, Ga and O impurities were theoretically investigated using density functional theory. Different types of point defects, consisting of 1 to 4 atoms…
The diffusion and activation of $n$-type impurities (P and As) implanted into $p$-type Ge(100) substrates were examined under various dose and annealing conditions. The secondary ion mass spectrometry profiles of chemical concentrations…
Tuning of the electronic properties of pre-synthesized colloidal semiconductor nanocrystals (NCs) by doping plays a key role in the prospect of implementing them in printed electronics devices such as transistors, and photodetectors. While…
We study the electronic properties of GaAs nanowires composed of both the zincblende and wurtzite modifications using a ten-band k.p model. In the wurtzite phase, two energetically close conduction bands are of importance for the…
In this work we have employed density-functional theory with hybrid functionals to investigate the atomic and electronic structure of bare and hydrogenated Mn doped ZnO nanowires with small diameter. We determine changes in magnetic and…
We report on growth of Te-doped self-catalyzed InAs nanowires by molecular beam epitaxy on silicon (111) substrates. Changes in the wire morphology, i.e. a decrease in length and an increase in diameter have been observed with rising doping…
N-type doping of GaAs nanowires has proven to be difficult because the amphoteric character of silicon impurities is enhanced by the nanowire growth mechanism and growth conditions. The controllable growth of n-type GaAs nanowires with…
Diffusion-enhanced and desorption-limited growth regimes of Ga-assisted GaAs nanowires were identified. In the latter regime, the number of vertical NWs with a narrow length distribution was increased by raising the growth temperature. The…
We investigate core/shell GaAs/(Pb,Sn)Te nanowire nanoheterostructures with wurtzite (wz) GaAs cores and (Pb,Sn)Te topological crystalline insulator shells. The nanostructures have been grown by molecular beam epitaxy using two distinct MBE…
The structural and electronic properties of the wurtzite phase of the InAs and GaAs compounds are, for the first time, studied within the framework of Density Functional Theory (DFT). We used the full-potential linearized augmented plane…
We investigate acceptor and donor states in GaN nanocrystals doped with a single substitutional impurity. Quantum dots (QD's) of zinc-blende structure and spherical shape are considered with the radius ranging from 4.5 to 67.7 A. The…
The approximate location in the Zaanen-Sawatzky-Allen diagram of the phase-separated (Ga,Mn)As material, consisting of MnAs nanoclusters embedded in GaAs, is determined on the basis of configuration-interaction (CI) cluster-model analysis…
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…
Semiconductor nanowires (NWires) experience stress and charge transfer by their environment and impurity atoms. In return, the environment of NWires experiences a NWire stress response which may lead to propagated strain and change in shape…