Jahn-Teller distortion and electronic structure of the O- center in CaF2: an MS Xα study

Weber, Jacques
Bill, Hans

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Publication date

January 1977

DOI

10.1016/0009-2614(77)80510-1

Publisher

Elsevier BV

ISSN

0009-2614

Citation count (estimate)

Abstract

The O− center in CaF2 is investigated by performing multiple scattering Xα calculations on the (OF6)7− cluster. In agreement with experiment, a strong Jahn-Teller distortion of tetragonal symmetry is predicted. Finally the ground state electronic structure of the cluster is discussed

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Jahn-Teller distortion and electronic structure of the O- center in CaF2: an MS Xα study

Abstract

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Jahn-Teller distortion and electronic structure of the O- center in CaF2: an MS Xα study

Abstract

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