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Electronic structure and elasticity of the Ta-W solid solution

Kareem Abdelmaqsoud and John R. Kitchin

M. Widom

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Phys. Rev. Materials 10, 053605 – Published 26 May, 2026

DOI: https://doi.org/10.1103/ph3y-8lnq

Abstract

The brittleness or ductility of metals has long been attributed to their elastic constants, with a high Poisson ratio, or equivalently, a high Pugh ratio, favoring greater ductility. Growing evidence links ductility with their electronic structure. Consequently, it is desirable to understand how the electronic structure affects the elastic constants. Here, we examine the Ta-W binary alloy system, which evolves from ductile character at Ta-rich compositions to brittleness at high W. We show that a change in slope of the composition-dependent shear modulus near the equiatomic composition coincides with an abrupt change in the Fermi level density of states. We relate the behaviors of the elastic constants to the characters of occupied electronic orbitals close to the Fermi level. Finally, we consider additional alloy systems from groups V and VI and show that qualitatively similar behavior occurs more broadly.

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Phys. Rev. Materials 10, 053605– Published 26 May, 2026
  • Received 21 January 2026
  • Accepted 5 May 2026
Article part of CHORUS
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