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Phys. Rev. Lett. 91, 087002 (2003) [4 pages]

Density Functional Study of the Phase Diagram and Pressure-Induced Superconductivity in P: Implication for Spintronics

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S. Ostanin1, V. Trubitsin2, J. B. Staunton1, and S. Y. Savrasov3
1Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom
2Physico-Technical Institute, Ural Branch of RAS, 132 Kirov Street, 426001 Izhevsk, Russia
3Department of Physics, New Jersey Institute of Technology, Newark, New Jersey 07102, USA

Received 21 January 2003; published 22 August 2003

The high-pressure phase diagram of P is studied using density functional total energy, linear response lattice dynamics and model Debye-Grüneisen theories. The volume dependent electron-phonon coupling λ∼0.7–0.9 is extracted for the bcc structure and found to increase with increasing volume. We propose that this phase might be realized in epitaxial thin films using templates such as V(100), Fe(100), or Cr(100) relevant to spintronics applications.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.91.087002
DOI:
10.1103/PhysRevLett.91.087002
PACS:
74.25.Jb, 61.50.Ks, 74.78.Fk, 85.75.–d