Vacancy-suppressed lattice conductivity of high-ZT In4Se3-x
SCIE
SCOPUS
- Title
- Vacancy-suppressed lattice conductivity of high-ZT In4Se3-x
- Authors
- Hyo Seok Ji; Hyoungchul Kim; Changhoon Lee; Jong-Soo Rhyee; Moo Hwan Kim; Massoud Kaviany; Shim, JH
- Date Issued
- 2013-03-08
- Publisher
- 2013 American Physical Society
- Abstract
- Anomalous, vacancy-induced anisotropic thermal conductivity is one of the important properties in the recently discovered high-ZT In4Se3-x compound. In this work, the lattice thermal conductivity of In4Se3-x is investigated using equilibrium molecular dynamics simulation, the point-defect model, and ab initio calculations. The charge density distribution shows highly anisotropic structure with strong bonding along In-Se-In chain direction. Se vacancy strongly suppresses the phonon propagation along the chain direction, with little change in other directions. We show that suppressed long-range acoustic phonon transport caused by the vacancy results in anisotropic change of lattice conductivity. We suggest controlling of vacancy in intrinsic low-dimensional compounds is critical in achieving optimal lattice thermal conductivity and other thermoelectric properties. DOI: 10.1103/PhysRevB.87.125111
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/12300
- DOI
- 10.1103/PHYSREVB.87.125111
- ISSN
- 1098-0121
- Article Type
- Article
- Citation
- PHYSICAL REVIEW B, vol. 87, no. 12, page. 125111-1 - 125111-7, 2013-03-08
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