Ultralow Thermal Conductivity in Cs–Sb–Se Compounds: Lattice Instability versus Lone-Pair Electrons
Journal Article
·
· Chemistry of Materials
- Naval Research Lab., Washington, D.C. (United States)
- Univ. of Missouri, Columbia, MO (United States)
Lone-pair electrons (LPE) are known to lead to large anharmonicity in materials and thus to low lattice thermal conductivity (k). Materials with LPE typically have lower k than those with similar compositions but without LPE. In this study, we investigate thermal transport properties in Cs-Sb-Se ternary compounds by first principles methods and show that LPE do not necessarily guarantee the lowest k.
- Research Organization:
- Univ. of Missouri, Columbia, MO (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- SC0019114
- OSTI ID:
- 1691488
- Journal Information:
- Chemistry of Materials, Vol. 32, Issue 20; ISSN 0897-4756
- Publisher:
- American Chemical Society (ACS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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