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- W2006333669 abstract "We study the electronic part of the thermal conductivity $ensuremath{kappa}$ of metals. We present two methods for calculating $ensuremath{kappa}$, a quantum Monte-Carlo method and a method where the phonons but not the electrons are treated semiclassically (SC). We compare the two methods for a model of alkali-doped ${mathrm{C}}_{60}$, ${mathrm{A}}_{3}{mathrm{C}}_{60}$, and show that they agree well. We then mainly use the SC method, which is simpler and easier to interpret. We perform SC calculations for Nb for large temperatures $T$ and find that $ensuremath{kappa}$ increases with $T$ as $ensuremath{kappa}(T)=a+bT$, where $a$ and $b$ are constants, consistent with a saturation of the mean free path, $l$, and in good agreement with experiment. In contrast, we find that for ${mathrm{A}}_{3}{mathrm{C}}_{60}$, $ensuremath{kappa}(T)$ decreases with $T$ for very large $T$. We discuss qualitatively the reason for this in the limit of large $T$. We give a quantum-mechanical explanation of the saturation of $l$ for Nb and derive the Wiedemann-Franz law in the limit of $T⪡W$, where $W$ is the bandwidth. In contrast, due to the small $W$ of ${mathrm{A}}_{3}{mathrm{C}}_{60}$, the assumption $T⪡W$ can be violated. We show that this leads to $ensuremath{kappa}(T)ensuremath{sim}{T}^{ensuremath{-}3∕2}$ for very large $T$ and a strong violation of the Wiedemann-Franz law." @default.
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- W2006333669 date "2006-12-22" @default.
- W2006333669 modified "2023-09-27" @default.
- W2006333669 title "Electronic thermal conductivity at high temperatures: Violation of the Wiedemann-Franz law in narrow-band metals" @default.
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- W2006333669 doi "https://doi.org/10.1103/physrevb.74.235116" @default.
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