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Ab Initio Study of the Mechanical Stability Criteria in BeSe and BeTe under Hydrostatic Pressure
Author(s) -
RodríguezHernández P.,
Hadj Haffida N.,
Muñoz A.
Publication year - 1999
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199901)211:1<23::aid-pssb23>3.0.co;2-o
Subject(s) - hydrostatic pressure , hydrostatic equilibrium , stiffness , homogeneous , stability (learning theory) , instability , lattice (music) , generalization , hydrostatic stress , structural stability , materials science , mechanics , statistical physics , thermodynamics , mathematics , structural engineering , physics , mathematical analysis , finite element method , computer science , engineering , quantum mechanics , machine learning , acoustics
The mechanical stability of homogeneous crystals has been the subject of extensive theoretical and computational studies. It has been suggested that Born stability conditions are only valid for the analysis of an unstressed lattice. The generalization of the elastic stability criteria to the non‐zero stress case can be done by formulating the stability criteria in terms of the elastic stiffness coefficients instead of the elastic constants. In this paper we present results of the study of stability criteria of Be chalcogenides, BeSe and BeTe, from first principles calculations, under hydrostatic pressure. Our results show the validity of the generalized criteria, in reasonable good agreement with previous experimental and theoretical results, and suggest the connection between the mechanical instability and the structural transition.