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Thesis

Electronic excitations in semiconductors and insulators using the Sternheimer-GW method

Abstract:

In this thesis we describe the extension and implementation of the Sternheimer- GW method to a first-principles pseudopotential framework based on a planewaves basis. The Sternheimer-GW method consists of calculating the GW self-energy operator without resorting to the standard expansion over unoccupied Kohn- Sham electronic states. The Green's function is calculated by solving linear systems for frequencies along the real axis. The screened Coulomb interaction is calcula...

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Institution:
University of Oxford
Research group:
Giustino Group
Oxford college:
Wolfson College
Department:
Mathematical,Physical & Life Sciences Division - Materials
Role:
Author

Contributors

Role:
Supervisor
Publication date:
2014
Type of award:
DPhil
Level of award:
Doctoral
URN:
uuid:7a3db604-b31d-4a87-b60a-65432b64e73a
Local pid:
ora:12402

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