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ČERNÝ, M.
Original Title
Elastic stability of magnetic crystals under isotropic compression and tension
Type
journal article - other
Language
English
Original Abstract
Mechanical stability of Fe, Ni and Cr in their ground-state cubic structures has been tested under isotropic compressive and tensile loading using an analysis based on elastic moduli of the crystal system. This analysis has also been used to compute the theoretical strengths of the studied elements. Elasticity has been studied using small distortions from several reference cubic states and corresponding changes of crystal energy. The total energy has been computed by means of ab initio code that uses plane wave basis set. The exchange and correlation contribution to the total energy has been treated by means of generalized gradient approximation. Magnetic ordering has been taken into account via collinear spin polarization. No shear instability has been found in the region of tensile stresses up to the points of inflection on energy volume dependencies of studied systems.
Keywords
Magnetism; Elastic moduli; Stability analysis; Isotropic loading
Authors
RIV year
2006
Released
1. 1. 2006
Publisher
Elsevier
ISBN
0921-5093
Periodical
Materials Science and Engineering A
Year of study
462
Number
1
State
Swiss Confederation
Pages from
432
Pages to
435
Pages count
4
BibTex
@article{BUT43385, author="Miroslav {Černý}", title="Elastic stability of magnetic crystals under isotropic compression and tension", journal="Materials Science and Engineering A", year="2006", volume="462", number="1", pages="432--435", issn="0921-5093" }