Title of article
Ab initio cluster study of the local lattice instability in La2−2xSr1+2xMn2O7
Author/Authors
Uzuhara، نويسنده , , Shinji and Koizumi، نويسنده , , Hiroyasu and Miyaki، نويسنده , , Satoru and Makoshi، نويسنده , , Kenji، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
7
From page
29
To page
35
Abstract
We have examined the local lattice instability of the (MnO6)9− and (MnO6)8− complexes embedded in the background potential appropriate for La2−2xSr1+2xMn2O7 at x=0.40 by ab initio quantum chemical calculations. We confirmed the E⊗e Jahn–Teller instability in the (MnO6)9− cluster and E⊗(b1+b2) Jahn–Teller instability in the (MnO6)8− cluster, respectively.
Journal title
Chemical Physics Letters
Serial Year
2002
Journal title
Chemical Physics Letters
Record number
1780797
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