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Title: Cluster-variation method for the triangular lattice gas

Journal Article · · Journal of Physics and Chemistry of Solids

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1076517
Report Number(s):
LBL-11474
Journal Information:
Journal of Physics and Chemistry of Solids, Vol. 43, Issue 1; ISSN 0022-3697
Publisher:
Elsevier
Country of Publication:
United States
Language:
English

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