Electronic excitations in II-VI compounds from an ab-initio GW approach

Details Electronic excitations in II-VI compounds from an ab-initio GW approach Electronic excitations in II-VI compounds from an ab-initio GW approach

Mar 2000

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2000aps..marl36044f&link_type=abstract

American Physical Society, Annual March Meeting, March 20-24, 2000 Minneapolis, MN, abstract #L36.044

Physics

Scientific paper

The electronic excitation spectrum in baryllium, magnesium, cadmium and mercury chalcogenides has been calculated by means of the ab-initio GW approximation using norm-conserving pseudopotentials, plane-waves or mixed-basis expansions, and including the spin-orbit interaction. Both real and imaginary parts of self-energy have been obtained, thus giving insight into the dynamics of quasiparticles: besides the correlated band structure, we present the excitation-energy dependence of the lifetime and the inelastic-mean-free path of hot electrons and holes. The GW energy bands compare very well with ARPES data for all materials studied except the mercury compounds, where there are still significant differences. In addition to the one-particle energy spectrum we present EELS. ellipsometry and soft-x-ray resonant inelastic scattering spectra.

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