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Symmetric Jahn-Teller distortions around O2− in alkali halides

✍ Scribed by J.E. Lowther

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
210 KB
Volume
35
Category
Article
ISSN
0009-2614

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✦ Synopsis

CHEMICAL PHYSICS LiXTEFtS 15 Aupsi I.975 Received 12 May 15175 .4n exact theoretic4 treatment for the g factors of orthcrhonbic puamwetic defect centres such as OF in the &aIi h&ides is presented. It is shown that the inclusion of Jahn-Teller effects may fmd to erroneous conclusions concerning

📜 SIMILAR VOLUMES

Jahn-Teller distortion and electronic st
Jahn-Teller distortion and electronic structure of the O− center in CaF2: an MS Xα study
✍ Jacques Weber; Hans Bill 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 381 KB

The O-ccntcr in CaFa is invcstisatcd by performing multiple scattcrirq Xa calculations on the (Ore)'-cluster. In agreement with cxpcrimcnt, a strong Jahn-Teller distortion of tctrqondl symmetry is prcdictcd. Finally the ground state electronic structure of the cluster is discussed.