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New low-energy crystal structure for silicon

Publication ,  Journal Article
Boyer, LL; Kaxiras, E; Feldman, JL; Broughton, JQ; Mehl, MJ
Published in: Physical Review Letters
January 1, 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.

Duke Scholars

Published In

Physical Review Letters

DOI

ISSN

0031-9007

Publication Date

January 1, 1991

Volume

67

Issue

6

Start / End Page

715 / 718

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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Boyer, L. L., Kaxiras, E., Feldman, J. L., Broughton, J. Q., & Mehl, M. J. (1991). New low-energy crystal structure for silicon. Physical Review Letters, 67(6), 715–718. https://doi.org/10.1103/PhysRevLett.67.715
Boyer, L. L., E. Kaxiras, J. L. Feldman, J. Q. Broughton, and M. J. Mehl. “New low-energy crystal structure for silicon.” Physical Review Letters 67, no. 6 (January 1, 1991): 715–18. https://doi.org/10.1103/PhysRevLett.67.715.
Boyer LL, Kaxiras E, Feldman JL, Broughton JQ, Mehl MJ. New low-energy crystal structure for silicon. Physical Review Letters. 1991 Jan 1;67(6):715–8.
Boyer, L. L., et al. “New low-energy crystal structure for silicon.” Physical Review Letters, vol. 67, no. 6, Jan. 1991, pp. 715–18. Scopus, doi:10.1103/PhysRevLett.67.715.
Boyer LL, Kaxiras E, Feldman JL, Broughton JQ, Mehl MJ. New low-energy crystal structure for silicon. Physical Review Letters. 1991 Jan 1;67(6):715–718.

Published In

Physical Review Letters

DOI

ISSN

0031-9007

Publication Date

January 1, 1991

Volume

67

Issue

6

Start / End Page

715 / 718

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences