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Conductivity Limits in CuAlO 2 from Screened-Hybrid Density Functional Theory

โœ Scribed by Scanlon, David O.; Watson, Graeme W.


Book ID
120380951
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
887 KB
Volume
1
Category
Article
ISSN
1948-7185

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## Abstract We present a comparison between the screened hybrid density functional theory of Heyd, Scuseria, and Enzerhof (HSE06) and highโ€resolution photoemission (PES) measurement on a single crystal of UO~2~. Angleโ€resolved photoemission data show a slight dispersion in the __f__โ€orbital derived