CLUSTER-VARIATION METHOD FOR THE TRIANGULAR LATTICE GAS I. THREE-SUBLATTICE POINT APPROXIMATION [electronic resource].
- Published:
- Berkeley, Calif. : Lawrence Berkeley National Laboratory, 1980. and Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
- Physical Description:
- 21 pages : digital, PDF file
- Additional Creators:
- Lawrence Berkeley National Laboratory and United States. Department of Energy. Office of Scientific and Technical Information
- Access Online:
- www.osti.gov
- Summary:
- The triangular lattice gas is examined as a model for the ordering of Li⁺ ions in intercalated transition metal dichalcogenides. A three-sublattice Bragg~ Williams (point approximation) calculation illustrates the meaning of the features in the incremental capacity versus concentration curves: (a) minima are associated with ordered structures, (b) sharp maxima (divergences) are caused by the coexistence of ordered and disordered phases over small concentration intervals and (c) smooth maxima can be found at concentrations of no direct relevance to ordering.
- Subject(s):
- Note:
- Published through SciTech Connect., 08/01/1980., "lbl-11474", Physical Review B FT, Osorio, R.; Falicov, L. M., and Materials Sciences Division
- Funding Information:
- DE-AC02-05CH11231
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