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First-principles anharmonic vibrational study of the structure of calcium silicate perovskite under lower mantle conditions

Abstract:

Calcium silicate perovskite (CaSiO3) is one of the major mineral components of the lower mantle, but has been the subject of relatively little work compared to the more abundant Mg-based materials. One of the major problems related to CaSiO3 that is still the subject of research is its crystal structure under lower mantle conditions—a cubic Pm¯3m structure is accepted in general, but some have suggested that lower-symmetry structures...

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Publication status:
Published
Peer review status:
Peer reviewed

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Files:
Publisher copy:
10.1103/physrevb.99.064101

Authors

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Institution:
University of Oxford
Division:
College Only
Oxford college:
St Edmund Hall
Role:
Author
Publisher:
American Physical Society Publisher's website
Journal:
Physical Review B Journal website
Volume:
99
Issue:
6
Article number:
64101
Publication date:
2019-02-06
Acceptance date:
2019-01-25
DOI:
EISSN:
2469-9969
ISSN:
2469-9950
Language:
English
Keywords:
Pubs id:
1094661
Local pid:
pubs:1094661
Deposit date:
2020-03-18

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