First principles calculations of indium impurity-cadmium vacancy complex in CdTe

• Veröffentlicht in: Functional Materials
• Datum: 2018
• Hauptverfasser: Yuriychuk, I., Solodin, S., Fochuk, P.
• Format: Artikel
• Sprache: Englisch
• Veröffentlicht: НТК «Інститут монокристалів» НАН України 2018
• Schlagworte: Characterization and properties
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/157170
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: First principles calculations of indium impurity-cadmium vacancy complex in CdTe / I. Yuriychuk, S. Solodin, P. Fochuk // Functional Materials. — 2018. — Т. 25, № 3. — С. 568-573. — Бібліогр.: 17 назв. — англ.

First principles calculations are used to study stability of the complex formed by indium impurity and cadmium vacancy in CdTe. Formation energies and transition energy levels of the cadmium vacancy, indium impurity and their complex in different charge states are calculated using supercell method w...