Related papers: Model for nucleation in GaAs homoepitaxy derived f…
2H-TaS$_2$ few layers have been grown epitaxially onto GaN(0001). A high substrate growth temperature of 825$^{\circ}$C induces best structural properties of the overlayer, as revealed by in-situ electron diffraction (RHEED and LEED). The…
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…
First-principles calculations using density functional theory based on norm-conserving pseudopotentials have been performed to investigate the Mg adsorption on the Si(001) surface for 1/4, 1/2 and 1 monolayer coverages. For both 1/4 and 1/2…
Using first-principles calculations, we systematically study the adsorption behaviors of molecular CO on the Be (0001) surface. By calculating the potential energy surfaces, we find that CO molecularly adsorbs on the Be surface with small…
The reconstructions of the Ga polarity GaN(0 0 0 1) surface with and without trace amounts of arsenic and prepared by molecular beam epitaxy (MBE) have been studied with in situ reflection high-energy electron diffraction (RHEED) and…
Al(0.37)Ga(0.63)As nanowires (NWs) were grown in a molecular beam epitaxy system on GaAs(111)B substrates. Micro-photoluminescence measurements and energy dispersive X-ray spectroscopy indicated a core-shell structure and Al composition…
We study the nucleation of GaN islands grown by plasma-assisted molecular-beam epitaxy on AlN(0001) in a Stranski-Krastanov mode. In particular, we assess the variation of their height and density as a function of GaN coverage. We show that…
Cesium adsorption on 2x4 GaAs (001) was studied by photoemission and low energy electron diffraction. The different Cs induced changes of the As 3d and Ga 3d core level spectra show that charge transfer is almost complete for Ga surface…
The stability of interfaces and the mechanisms of thin film growth on semiconductors are issues of central importance in electronic devices. These issues can only be understood through detailed study of the relevant microscopic processes.…
Structure of the Ga-stabilized GaAs(001)-c(8x2) surface has been studied using rocking-curve analysis of reflection high-energy electron diffraction (RHEED). The c(8x2) structure emerges at temperatures higher than 600C, but is unstable…
We have investigated the initial growth of Fe on GaAs(110) by means of density functional theory. In contrast to the conventionally used (001)-surface the (110)-surface does not reconstruct. Therefore, a flat interface and small diffusion…
We present a systematic theoretical investigation of the surface properties, stability and reactivity, of rock-salt type alkaline-earth metal oxides including MgO, CaO, SrO, and BaO. The accuracy of commonly used exchange-correlation…
Thin layers of GaMnAs ferromagnetic semiconductor grown by molecular beam epitaxy on GaAs(001) substrates were studied. To improve their magnetic properties the post-growth annealing procedures were applied, using the surface passivation…
Scanning tunneling microscopy (STM) and spectroscopy (STS) in combination with density functional theory (DFT) calculations are employed to study the surface and subsurface properties of the metastable phase of the phase change material…
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…
Electronic and atomic structures of the clean, and As and Te covered Si(211) surface are studied using pseudopotential density functional method. The clean surface is found to have (2 X 1) and rebonded (1 X 1) reconstructions as stable…
The III-Se layered semiconductors, including InSe and GaSe, are promising optoelectronic materials due to their relatively high electron mobilities at room temperature, nonlinear optical responses, ferroelectricity, self-passivated van der…
Electronic structure calculations are performed to obtain the As-exposed Si(211) and the Te adsorbed As-exposed Si(211) surface. Arsenic-exposed Si(211) may be obtained by adsorbing As on Si(211) or by replacing surface Si atoms by As.…
Trapping of charge at surface states is a longstanding problem in GaN that hinders a full realization of its potential as a semiconductor for microelectronics. At least part of this charge originates in molecules adsorbed on the GaN…
By means of density functional theory we have undertaken a structural, electronic and magnetic survey of the adsorption of the Fe_xPt_y(x,y=<4) clusters on MgO (001) surface under the generalized gradient approximation. We have tested…