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Contenido archivado el 2024-05-14

Quasi particle theory practical concepts for vertex corrections and total energies

Objetivo



The proposed research project will deal with electronic and structural properties of crystalline solids within the framework of many-body theory. Starting from Hedin's GW approximation in a space-time formalism, the Green function method of computational many-body theory will be taken further and its scope broadened.
1. Feasible ways to go beyond the GW approximation with vertex corrections ('GW+') will be sought and critically tested on the excitation spectra of transition metal compounds.
2. A practical way to calculate the total energy within the Green function formalism will be developed. This will open a new access for better structural properties and cohesive energies of solids.
3. As a practical application of 1. and 2., the silicon-germanium (100) interface will be investigated. Discrepancies between theory and experiment concerning bond lengths and band offsets need a clarification. It is expected that an improved description of the charge density by Green function methods will play an important role.

Ámbito científico (EuroSciVoc)

Programa(s)

Tema(s)

Convocatoria de propuestas

Datos no disponibles

Régimen de financiación

RGI - Research grants (individual fellowships)

Coordinador

THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE
Aportación de la UE
Sin datos
Dirección
Cavendish Laboratory, Madingley Road
CB3 0HE CAMBRIDGE
Reino Unido
Coste total
Sin datos

Participantes (1)