Quasi particle theory practical concepts for vertex corrections and total energies

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Project objective

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.

Original text from CORDIS.

Participants

• University of Cambridge · CambridgeCoordinatorUnited Kingdom
• Not availableCity levelGermany

Links

• View on CORDIS