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Supersoft Transition Metal Silicides

E. G. Moroni, R. Podloucky, and J. Hafner
Phys. Rev. Lett. 81, 1969 – Published 31 August 1998
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Abstract

Candidates for epitaxially stabilized structures of Fe, Co, and Ni silicides are searched by ab initio calculations. We find that the pseudomorphic phases of FeSi2 in the C1 structure and CoSi and NiSi in the B2 structure soften dramatically under compressive biaxial strain induced by epitaxy on a (100) substrate. This supersoft effect is reflected by zero strain energy, constant volume, and constant bond energies.

  • Received 7 April 1998

DOI:https://doi.org/10.1103/PhysRevLett.81.1969

©1998 American Physical Society

Authors & Affiliations

E. G. Moroni1,3, R. Podloucky2,3, and J. Hafner1,3

  • 1Institut für Theoretische Physik, Technische Universität Wien, Wiedner Hauptstrasse 8-10/136, A-1040 Wien, Austria
  • 2Institut für Physikalische Chemie, Universität Wien, Liechtensteinstrasse 22A, A-1090 Wien, Austria
  • 3Center for Computational Material Science, A-1060 Wien, Austria

See Also

Solid Acts Like a Liquid

Phys. Rev. Focus 2, 11 (1998)

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Issue

Vol. 81, Iss. 9 — 31 August 1998

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