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

Calcium silicate perovskite (CaSiO\(_3\)) 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 CaSiO\(_3\) that is still the subject of research is its cry...

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Veröffentlicht in:	arXiv.org 2019-02
Hauptverfasser:	Prentice, Joseph C A, Maezono, Ryo, Needs, R J
Format:	Artikel
Sprache:	eng
Schlagworte:	Anharmonicity Calcium silicates Crystal structure First principles Mantle Perovskites Physics - Materials Science Self consistent fields Structural stability Temperature Thermal expansion
Online-Zugang:	Volltext
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