Trends of the elastic constants of cubic transition metals

Trends of the elastic constants of cubic transition metals

It is shown for the first time, using ab initio calculations, that the trend exhibited by the elastic constants in the transition metals can be simply understood. In particular, it is shown that the trend of the elastic constants of cubic transition metals is determined by the energy difference betw...

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Veröffentlicht in:Physical review letters 1992-05, Vol.68 (18), p.2802-2805
Hauptverfasser: WILLS, J. W, ERIKSSON, O, SÖDERLIND, P, BORING, A. M
Format: Artikel
Sprache:eng
Schlagworte:
Applied sciences
BAND THEORY
Condensed matter: structure, mechanical and thermal properties
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELASTICITY
Elasticity, elastic constants
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
Exact sciences and technology
FREE ENERGY
MATERIALS SCIENCE
Mechanical and acoustical properties of condensed matter
MECHANICAL PROPERTIES
Mechanical properties of solids
METALS
Metals. Metallurgy
PHYSICAL PROPERTIES
Physics
SHEAR PROPERTIES
TENSILE PROPERTIES
THERMODYNAMIC PROPERTIES 360103 > Metals & Alloys-- Mechanical Properties
TRANSITION ELEMENTS
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Beschreibung
Zusammenfassung:It is shown for the first time, using ab initio calculations, that the trend exhibited by the elastic constants in the transition metals can be simply understood. In particular, it is shown that the trend of the elastic constants of cubic transition metals is determined by the energy difference between the fcc and bcc structures of a given element, which, in turn, is determined by band filling. The results suggest indirectly that the reason for the disagreement between calculated "experimental" data for crystal energy differences does not lie in the calculated results.
ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.68.2802