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- W2912681092 abstract "Tungsten is known to have a Lorenz number $L$ larger than the Sommerfeld value (${L}_{0}={ensuremath{pi}}^{2}{k}_{B}^{2}/3{e}^{2}=2.445ifmmodetimeselsetexttimesfi{}{10}^{ensuremath{-}8}phantom{rule{0.16em}{0ex}}{mathtt{V}}^{2}/{mathtt{deg}}^{2}$) by 30%. By performing fully first-principles calculations, we are able to calculate the electrical conductivity ($ensuremath{sigma}$) and quantify the electronic (${ensuremath{kappa}}_{e}$) and the lattice (${ensuremath{kappa}}_{mathtt{ph}}$) contributions to the thermal conductivity with a high accuracy. We show that the deviation of $L$ is entirely due to ${ensuremath{kappa}}_{mathtt{ph}}$, and ${ensuremath{kappa}}_{e}/ensuremath{sigma}T$ agrees with ${L}_{0}$ within 5%. At room temperature, ${ensuremath{kappa}}_{mathtt{ph}}$ is 46 W/m-K, one order of magnitude larger than that in other metals even with smaller atomic mass and higher Debye temperature, and likely the largest of all metals. The large ${ensuremath{kappa}}_{mathtt{ph}}$ is ascribed to the surprisingly weak anharmonic phonon scattering. Apart from the not-strong anharmonic interatomic interaction, the weak anharmonic phonon scattering is also facilitated with the large atomic mass, leading to small thermal displacement. The interplay between the phonon-phonon and electron-phonon scatterings leads to weak temperature dependence of ${ensuremath{kappa}}_{mathtt{ph}}$, and signifies the importance of an accurate solution to the Boltzmann transport equation beyond the conventional relaxation time approximation. Our findings give insights into the phonon transport in metals." @default.
- W2912681092 created "2019-02-21" @default.
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- W2912681092 date "2019-01-22" @default.
- W2912681092 modified "2023-10-09" @default.
- W2912681092 title "Understanding the thermal conductivity and Lorenz number in tungsten from first principles" @default.
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- W2912681092 doi "https://doi.org/10.1103/physrevb.99.020305" @default.
- W2912681092 hasPublicationYear "2019" @default.
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