Stability of the hcp Ruthenium at high pressures from first principles

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Stability of the hcp Ruthenium at high pressures from first principles

The method of calculation of the elastic constants up to third order from the energy-strain relation under pressure for the hcp crystals is given and described in details. The method is applied to the hcp phase of Ruthenium. Elastic constants, lattice dynamics, and electronic structure are investiga...

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Bibliographic Details
Main Authors:	Lugovskoy, Andrey, Belov, M., Krasilnikov, O., Vekilov, Y.
Format:	Journal Article
Published:	American Institute of Physics Inc. 2014
Online Access:	http://hdl.handle.net/20.500.11937/44008

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