On the ab initio calculation of vibrational formation entropy of point defect: the case of the silicon vacancy
Formation entropy of point defects is one of the last crucial elements required to fully describe the temperature dependence of point defect formation. However, while many attempts have been made to compute them for very complicated systems, very few works have been carried out such as to assess the...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2017-01-01
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| Series: | EPJ Photovoltaics |
| Online Access: | https://www.epj-pv.org/articles/epjpv/full_html/2017/01/pv160014/pv160014.html |