First principles calculation of lithium-phosphorus co-doped diamond

• Veröffentlicht in: Condensed Matter Physics
• Datum: 2013
• Hauptverfasser: Shao, Q.Y., Wang, G.W., Zhang, J., Zhu, K.G.
• Format: Artikel
• Sprache: Englisch
• Veröffentlicht: Інститут фізики конденсованих систем НАН України 2013
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/121066
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: First principles calculation of lithium-phosphorus co-doped diamond / Q.Y. Shao, G.W. Wang, J. Zhang, K.G. Zhu // Condensed Matter Physics. — 2013. — Т. 16, № 1. — С. 13702:1–14. — Бібліогр.: 22 назв. — англ.

We calculate the density of states (DOS) and the Mulliken population of the diamond and the co-doped diamonds with different concentrations of lithium (Li) and phosphorus (P) by the method of the density functional theory, and analyze the bonding situations of the Li-P co-doped diamond thin films an...