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Electron-phonon interaction via electronic and lattice Wannier functions: superconductivity in boron-doped diamond reexamined.

Abstract:

We present a first-principles technique for investigating the electron-phonon interaction with millions of k points in the Brillouin zone, which exploits the spatial localization of electronic and lattice Wannier functions. We demonstrate the effectiveness of our technique by elucidating the phonon mechanism responsible for superconductivity in boron-doped diamond. Our calculated phonon self-energy and Eliashberg spectral function show that superconductivity cannot be explained without taking...

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Publication status:
Published

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Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
Journal:
Physical Review Letters
Volume:
98
Issue:
4
Pages:
047005
Publication date:
2007-01-01
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
Source identifiers:
172949
Language:
English
Pubs id:
pubs:172949
UUID:
uuid:8d43c6df-b49f-499c-95c6-14c8311a3422
Local pid:
pubs:172949
Deposit date:
2012-12-19

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