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Electronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair model

Abstract:

Structural distortions in post-transition metal oxides are often explained in terms of the influence of s p hybrid "lone pairs". Evidence is presented here showing that this model must be revised. The electronic structures of prototypically distorted α-PbO and α-Bi2O3 have been measured by high-resolution x-ray photoemission and soft x-ray emission spectroscopies. In contrast with the expectations of the lone pair model, a high density of metal 6s states is observed at the bottom of the valen...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

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Publisher copy:
10.1103/PhysRevLett.96.157403

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Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Inorganic Chemistry Laboratory
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Author
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Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Inorganic Chemistry Laboratory
Role:
Author
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Institution:
Trinity College, Dublin, Ireland
Department:
Department of Chemistry
Role:
Author
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Institution:
Trinity College, Dublin, Ireland
Department:
Department of Chemistry
Role:
Author
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Institution:
Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California, USA
Role:
Author
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Engineering and Physical Sciences Research Council More from this funder
U. S. Department of Energy More from this funder
Higher Education Academy More from this funder
Publisher:
American Physical Society Publisher's website
Journal:
Physical Review Letters Journal website
Volume:
96
Issue:
15
Pages:
157403
Publication date:
2006-04-05
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
URN:
uuid:da90e4c7-566c-4a37-bab0-cd00b17043ff
Local pid:
ora:1417

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