First-principles Wigner transport calculations show Sn2S3 has anisotropic, low lattice thermal conductivity caused by rattling of lone-pair-bearing Sn(II) atoms, with optical phonons carrying most heat along the b-axis.
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Low and Anisotropic Thermal Conductivity in Mixed-Valent Sn$_2$S$_3$
First-principles Wigner transport calculations show Sn2S3 has anisotropic, low lattice thermal conductivity caused by rattling of lone-pair-bearing Sn(II) atoms, with optical phonons carrying most heat along the b-axis.