Berry curvature dipole generation and helicity-to-spin conversion at symmetry-mismatched heterointerfaces
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The defect levels of the nitrogen dangling bond at the Si/SiO2 interface are determined through a density-functional approach. The composition grading at the interface is modeled through crystalline and amorphous models of stoichiometric SiO2, nitrided SiO ...
The Model of Uptake with Instantaneous Adsorption and Efflux, MUIAE, describing and predicting the overall Cd uptake by the metal-resistant bacterium Cupriavidus metallidurans CH34, is presented. MUIAE takes into account different processes at the bacteria ...
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 ...
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 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 ...
The theories used up to now to model theoretically and numerically nanostructures, and more specifically semiconductor heterostructures, do not allow to include efficiently at the envelope function level, in a k · p approach, the effects imposed by a possi ...
We analyze the electronic properties of quantum wires with a Z-like profile within four-band models for the valence band of a semiconductor of diamond and zinc blende type. Group-theoretical considerations show that the valence-band structure is doubly deg ...
We performed a spectromicroscopy experiment to find evidence of lateral inhomogeneities in the band bending for the Al/GaS system. Microimages of the interface tuned on the Al 2p con levels revealed localized chemical inhomogeneities in proximity of the ed ...