Phys. Rev. Lett. 67, 715–718 (1991)New low-energy crystal structure for siliconSee Also: Erratum Received 28 February 1991; published in the issue dated 5 August 1991 A minimum-energy path in strain space has been determined which takes cubic silicon into itself. Energies are computed using the Stillinger-Weber model potential and first-principles total-energy calculations. The energy along this path has an additional minimum corresponding to a crystal structure with a body-centered-tetragonal lattice and fivefold-coordinated atoms. Lattice-dynamics, molecular-dynamics, and elastic-constant calculations show the structure is stable. © 1991 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.67.715
DOI:
10.1103/PhysRevLett.67.715
PACS:
61.55.Dc, 61.42.+h, 64.70.Kb, 71.25.Rk
See AlsoErratum: L. L. Boyer, Efthimiois Kaxiras, J. L. Feldman, J. Q. Broughton, and M. J. Mehl, Erratum: New low-energy crystal structure for silicon [Phys. Rev. Lett. 67, 715 (1991)], Phys. Rev. Lett. 67, 1477 (1991). |
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