Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg2SiO4 forsterite

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Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg2SiO4 forsterite

We report accurate ab initio theoretical predictions of the elastic, seismic, and structural anisotropy of the orthorhombic Mg2SiO4 forsterite crystal at high pressures (up to 20 GPa) and temperatures (up to its melting point, 2163 K), which constitute earth’s upper mantle conditions. Single-crystal...

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Bibliographic Details
Main Authors:	Erba, A., Maul, J., De La Pierre, Marco, Dovesi, R.
Format:	Journal Article
Published:	American Institute of Physics Inc. 2015
Online Access:	http://hdl.handle.net/20.500.11937/25101

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