Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg1−x,Fex)O system

We present ab initio calculations of the zero‐temperature composition dependent spin transition pressures in rocksalt (B1) (Mg1−x,Fex)O. We predict that the spin transition pressure decreases with increasing Mg content, consistent with experimental results. At high‐pressure, we find that the effecti...

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Veröffentlicht in:	Geophysical research letters 2006-08, Vol.33 (16), p.n/a
Hauptverfasser:	Persson, Kristin, Bengtson, Amelia, Ceder, Gerbrand, Morgan, Dane
Format:	Artikel
Sprache:	eng
Schlagworte:	Earth sciences Earth, ocean, space Exact sciences and technology
Online-Zugang:	Volltext
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