Enhancement of thermal expansion of organic charge-transfer salts by strong electronic correlations

Kokalj, J. and McKenzie, Ross H. (2015) Enhancement of thermal expansion of organic charge-transfer salts by strong electronic correlations. Physical Review B, 91 20: 205121.1-205121.10. doi:10.1103/PhysRevB.91.205121

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Author Kokalj, J.
McKenzie, Ross H.
Title Enhancement of thermal expansion of organic charge-transfer salts by strong electronic correlations
Journal name Physical Review B   Check publisher's open access policy
ISSN 1098-0121
1550-235X
Publication date 2015-05
Sub-type Article (original research)
DOI 10.1103/PhysRevB.91.205121
Open Access Status File (Publisher version)
Volume 91
Issue 20
Start page 205121.1
End page 205121.10
Total pages 10
Place of publication American Physical Society
Publisher College Park, MD, United States
Collection year 2016
Language eng
Formatted abstract
Organic charge-transfer salts exhibit thermal expansion anomalies similar to those found in other strongly correlated electron systems. The thermal expansion can be anisotropic and have a nonmonotonic temperature dependence. We show how these anomalies can arise from electronic effects and be significantly enhanced, particularly at temperatures below 100 K, by strong electronic correlations. For the relevant Hubbard model the thermal expansion is related to the dependence of the entropy on the parameters (t, t′, and U) in the Hamiltonian or the temperature dependence of bond orders and double occupancy. The latter are calculated on finite lattices with the finite-temperature Lanczos method. Although many features seen in experimental data, in both the metallic and Mott insulating phase, are described qualitatively, the calculated magnitude of the thermal expansion is smaller than that observed experimentally.
Keyword Structural Genealogy
Spin liquid
Conductors
Molecules
Phases
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Mathematics and Physics
Official 2016 Collection
 
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