THE E''CIRCLE-TIMES (EPSILON'-JAHN-TELLER EFFECT - AN APPLICATION TO KNICL3(EPSILON'') PSEUDO)

Authors
HENDRIKSE ZW MAASKANT WJA
Citation
Zw. Hendrikse et Wja. Maaskant, THE E''CIRCLE-TIMES (EPSILON'-JAHN-TELLER EFFECT - AN APPLICATION TO KNICL3(EPSILON'') PSEUDO), Zeitschrift für physikalische Chemie, 200, 1997, pp. 21-30
Citations number
10
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Journal title
Zeitschrift für physikalische Chemie → ACNP
ISSN journal
09429352
Volume
200
Year of publication
1997
Part
1-2
Pages
21 - 30
Database
ISI
SICI code
0942-9352(1997)200:<21:TE(E-A>2.0.ZU;2-2
Abstract
A new type E '' X (epsilon' + epsilon '') pseudo-Jahn-Teller effect wi ll be presented, which can be used to explain the phase transition in the hexagonal perovskite KNiCl3. It is shown that the linear effect ca n be solved exactly. Since spurious minima are found in this way, it i s necessary to incorporate second-order vibronic interactions. The occ urrence of the three real minima can be deduced.