Premium
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.