Calculation of energy barriers for physically allowed lattice-invariant strains in aluminum and iridium

15 April 1991

journal article
research article
Published by American Physical Society (APS) in Physical Review B

Vol. 43 (12) , 9498-9502
https://doi.org/10.1103/physrevb.43.9498

Abstract

Total-energy calculations using the full-potential linearized augmented-plane-wave method are employed to determine the energy barrier for physically allowed lattice-invariant strains in iridium (which has a high melting point) and aluminum (for which the melting point is relatively low). The barrier heights are found to correspond qualitatively with their corresponding melting temperatures, and the calculated shear elastic moduli agree favorably with experimental values.

Keywords

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