Calculation of first‐order and second‐order Jahn‐Teller coupling constants in MgO:V 2+  and KMgF 3 :V 2+ | Zendy

Bacci M. | Zendy

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Calculation of first‐order and second‐order Jahn‐Teller coupling constants in MgO:V 2+ and KMgF 3 :V 2+

Author(s) -

Bacci M.

Publication year - 1979

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/pssb.2220920122

Subject(s) - jahn–teller effect , parametrization (atmospheric modeling) , coupling constant , order (exchange) , coupling (piping) , physics , interpretation (philosophy) , zero (linguistics) , atomic physics , chemistry , ion , materials science , quantum mechanics , linguistics , philosophy , finance , economics , metallurgy , radiative transfer , computer science , programming language

The Jahn‐Teller coupling constants for the systems MgO:V 2+ are computed up to the second order, following a new parametrization method, which is based on the angular overlap model. The results are then discussed in respect of the interpretation of the zero‐phonon line splitting ( 4 A 2g → 4 T 2g ) in MgO: V 2+ , previously given.

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