Quasiharmonic elastic constants corrected for deviatoric thermal stresses

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Quasiharmonic elastic constants corrected for deviatoric thermal stresses

Pierre Carrier,1 João F. Justo,2 and Renata M. Wentzcovitch1 1Minnesota Supercomputing Institute, Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, USA 2Escola Politécnica, Universidade de São Paulo, CP 61548, CEP 05424-970 São Paulo, SP, Brazil and Chemical Engineering and Materials Science Department, University of Minnesota, Minn...

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Quasiharmonic thermal elasticity of crystals: An analytical approach

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Copyright c © International Union of Crystallography Author(s) of this paper may load this reprint on their own web site or institutional repository provided that this cover page is retained. Republication of this article or its storage in electronic databases other than as specified above is not permitted without prior permission in writing from the IUCr. For further information see http://jou...

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ژورنال

عنوان ژورنال: Physical Review B

سال: 2008

ISSN: 1098-0121,1550-235X

DOI: 10.1103/physrevb.78.144302