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Selective photoluminescence experiments have been used to analyse the neutral donor bound exciton spectra in n type wurtzite GaN epitaxial layers deposited on 6H-SiC, Al2O3 and GaN substrates, In heterostructure layers, the existence of residual strain dis ...
The adsorption of dopamine onto an anatase TiO2(101) single crystal has been studied using photoemission and NEXAFS techniques Photoemission Jesuits suggest that the dopamine molecule adsorbs on the surface in a bidentate geometry, resulting in the removal ...
We use ab initio computations to investigate the effect of filler ions on the properties of CoSb3 skutterudites. We analyze global and local structural effects of filling, using the Ba-filled system as an example. We show that the deformation of Sb network ...
We perform ab-initio computations to investigate the family of CoSb(3) skutterudites in an attempt to develop deeper understanding of the effect of fillers. Primary focus is on Ba-filled CoSb(3) Systems. while Ca and Sr-filled systems are also compared for ...
Models of amorphous (HfO2)x(SiO2)(1), for varying hafnium, content x are generated by ab initio molecular dynamics. The structural properties are analyzed in terms of pair distribution functions from which typical bond lengths and coordination numbers are ...
Electronic properties of ternary skutterudites AX(3/2)Y(3/2) (A=Co, X=Ge, Sn and Y=S, Te) are investigated using first principles calculations to clarify recent experimental results. Band derivatives are computed accurately within an approach based on Maxi ...
Electronic band gaps and dielectric constants are obtained for amorphous hafnium silicates using first-principles methods. Models of amorphous (HfO2)(x)(SiO2)(1-x) for varying x are generated by ab initio molecular dynamics. The calculations show that the ...
We report on carrier-induced effects on emission and absorption in forward biased GaAs/AlGaAs V-groove quantum wire (QWR) diodes observed using low-temperature (10 K) photoluminescence (PL), electroluminescence (EL) and PL excitation (PLE) spectroscopy. In ...
The photoluminescence (PL) and PL-excitation (PLE) spectra of InyCa1-yAs/AlxGa1-xAs compressively strained V-groove quantum wires (QWR's) are compared to that of lattice-matched GaAs/AlyGa1-xAs QWR's with the same wire geometry. The PL is preferentially po ...
Band-structure (BS) calculations of the density of states (DOS) using the full potential augmented plane waves code WIEN97 were performed on the four single-valence vanadium oxides VO, V2O3, VO2 and V2O5. The DOS are discussed with respect to the distortio ...