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Ab initio study of piezoelectricity and spontaneous polarization in ZnO

✍ Scribed by Dal Corso, Andrea; Posternak, Michel; Resta, Raffaele; Baldereschi, Alfonso

Book ID
111652929
Publisher
The American Physical Society
Year
1994
Tongue
English
Weight
490 KB
Volume
50
Category
Article
ISSN
1098-0121

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## Abstract In this study, the adsorption of a single Cu atom on the polar ZnO(0001) and ZnO(000) surfaces was investigated by means of highly accurate wave function based __ab initio__ methods. Different modifications of the polar surfaces were investigated: unstabilized surfaces, surfaces with hy