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Total-energy calculations of solid H, Li, Na, K, Rb, and Cs

Publication ,  Journal Article
Sigalas, M; Bacalis, NC; Papaconstantopoulos, DA; Mehl, MJ; Switendick, AC
Published in: Physical Review B
January 1, 1990

Augmented-plane-wave calculations within the local-density approximation of the total energy of the solid alkali metals H, Li, Na, K, Rb, and Cs predict that except in Rb at T=0 K the fcc structure is more stable than the bcc, which agrees with experiments for Li and Na. © 1990 The American Physical Society.

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Published In

Physical Review B

DOI

ISSN

0163-1829

Publication Date

January 1, 1990

Volume

42

Issue

18

Start / End Page

11637 / 11643
 

Citation

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Sigalas, M., Bacalis, N. C., Papaconstantopoulos, D. A., Mehl, M. J., & Switendick, A. C. (1990). Total-energy calculations of solid H, Li, Na, K, Rb, and Cs. Physical Review B, 42(18), 11637–11643. https://doi.org/10.1103/PhysRevB.42.11637
Sigalas, M., N. C. Bacalis, D. A. Papaconstantopoulos, M. J. Mehl, and A. C. Switendick. “Total-energy calculations of solid H, Li, Na, K, Rb, and Cs.” Physical Review B 42, no. 18 (January 1, 1990): 11637–43. https://doi.org/10.1103/PhysRevB.42.11637.
Sigalas M, Bacalis NC, Papaconstantopoulos DA, Mehl MJ, Switendick AC. Total-energy calculations of solid H, Li, Na, K, Rb, and Cs. Physical Review B. 1990 Jan 1;42(18):11637–43.
Sigalas, M., et al. “Total-energy calculations of solid H, Li, Na, K, Rb, and Cs.” Physical Review B, vol. 42, no. 18, Jan. 1990, pp. 11637–43. Scopus, doi:10.1103/PhysRevB.42.11637.
Sigalas M, Bacalis NC, Papaconstantopoulos DA, Mehl MJ, Switendick AC. Total-energy calculations of solid H, Li, Na, K, Rb, and Cs. Physical Review B. 1990 Jan 1;42(18):11637–11643.

Published In

Physical Review B

DOI

ISSN

0163-1829

Publication Date

January 1, 1990

Volume

42

Issue

18

Start / End Page

11637 / 11643