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首页> 外文期刊>Physical review >Enhancement of thermal expansion of organic charge-transfer salts by strong electronic correlations
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Enhancement of thermal expansion of organic charge-transfer salts by strong electronic correlations

机译：通过强电子相关性增强有机电荷转移盐的热膨胀

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摘要

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.
机译：有机电荷转移盐表现出的热膨胀异常类似于在其他高度相关的电子系统中发现的异常。热膨胀可以是各向异性的并且具有非单调的温度依赖性。我们展示了这些异常是如何由电子效应引起的，并且通过强大的电子相关性得到了显着增强，尤其是在低于100 K的温度下。对于相关的Hubbard模型，热膨胀与哈密顿量中熵对参数（t，t'和U）的依赖性或键阶和双占据的温度依赖性有关。后者是使用有限温度Lanczos方法在有限晶格上计算的。尽管在实验数据中看到的许多特征（在金属绝缘阶段和莫特绝缘阶段）都得到了定性描述，但计算出的热膨胀幅度却比实验观察到的小。

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