researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2001 · cond-mat.mtrl-sciShow all

4 papers · 2 filters

cond-mat.mtrl-sci2001★ 137 cited

Metastable precursors during the oxidation of the Ru(0001) surface

Karsten Reuter, M. Veronica Ganduglia-Pirovano, Catherine Stampfl +1

Using density-functional theory, we predict that the oxidation of the Ru(0001) surface proceeds via the accumulation of sub-surface oxygen in two-dimensional islands between the fi…

cond-mat.mtrl-sci2001★ 14 cited

Impact ionization in GaAs: a screened exchange density functional approach

S. Picozzi, R. Asahi, C. B. Geller +2

Results are presented of a fully ab-initio calculation of impact ionization rates in GaAs within the density functional theory framework, using a screened-exchange formalism and th…

cond-mat.mtrl-sci2001★ 165 cited

Coordination and chemical effects on the structural, electronic and magnetic properties in Mn pnictides

A. Continenza, S. Picozzi, W. T. Geng +1

Simple structures of MnX binary compounds, namely hexagonal NiAs and zincblende, are studied as a function of the anion (X = Sb, As, P) by means of the all-electron FLAPW method wi…

cond-mat.mtrl-sci2001★ 14 cited

Energetics and bonding properties of the Ni/-SiC (001) interface: an ab-initio study

G. Profeta, A. Continenza, A. J. Freeman

We investigate the adsorption of a Ni monolayer on the -SiC(001) surface by means of highly precise first-principles all-electron FLAPW calculations. Total energy calculations f…