Elasticity of diamond at high pressures and temperatures

We combine density functional theory within the local density approximation, the quasiharmonic approximation, and vibrational density of states to calculate single crystal elastic constants, and bulk and shear moduli of diamond at simultaneous high pressures and temperatures in the ranges of 0–500 G...

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Veröffentlicht in:	Applied physics letters 2012-10, Vol.101 (17)
Hauptverfasser:	Núñez Valdez, Maribel, Umemoto, Koichiro, Wentzcovitch, Renata M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Approximation Bulk density Density Density functional theory Elasticity Mathematical analysis Pressure Single crystals
Online-Zugang:	Volltext
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