Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors.
| Autor: | Skelton, Jonathan M.1 j.m.skelton@bath.ac.uk, Tiana, Davide1, Parker, Stephen C.1, Atsushi Togo2, Isao Tanaka2,3, Walsh, Aron1 |
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| Zdroj: | Journal of Chemical Physics. 2015, Vol. 143 Issue 6, p1-14. 14p. 1 Chart, 9 Graphs. |
| Databáze: | Academic Search Ultimate |
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