Low thermal conductivity and triaxial phononic anisotropy of SnSe

By Jesús Carrete, Natalio Mingo, Stefano Curtarolo. 2014

239 citations recorded by the source corpus.

In this theoretical study, we investigate the origins of the very low thermal conductivity of tin selenide (SnSe) using ab-initio calculations. We obtained high-temperature lattice thermal conductivity values that are close to those of amorphous compounds. We also found a strong anisotropy between the three crystallographic axes: one of the in-plane directions conducts heat much more easily than the other. Our results are compatible with most of the experimental literature on SnSe, and differ markedly from the more isotropic values reported by a recent study.

Subfields: Materials Chemistry, Mechanics of Materials

View Paper: https://www.semanticscholar.org/paper/66f01e72bb193dc1778cf46ca3e539d8fe8b22c0

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In Materials Chemistry

1. Lidong Chen
2. Xun Shi
3. Li-dong Zhao
4. C. Uher
5. C. Hua
6. S. Lee
7. Jihui Yang
8. Wenqing Zhang

In Mechanics of Materials

1. X. Ruan
2. L. Lindsay

Citations in the corpus

• Survey of ab initio phonon thermal transport (2018, background): “behavior include Bi2Te3 [96], Mg2Si/Sn alloys [13], SnSe [8,54,134], skutterudite CoSb3 and filler modes [37,59,135,136], and rattling atoms in clathrate materials [137e139].”
• On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective (2016, background): “The ab initio calculations reveal that the strong PPI of SnSe originates from the large phonon scattering channel and the very anharmonic resonant bonds.(103,105) Recent molecular dynamics calculations of PPI even account for the evolution of κL with temperature.”
• Highly-anisotropic optical and electrical properties in layered SnSe (2017, background): “To date, the exploration of anisotropic properties in 2D SnSe has mainly focused on theoretical calculations [28, 30], while the direction-dependent electron, phonon, and photon interactions and related mechanisms, as well as the facile experimental identification of crystalline orientation, remain ”