Vacancy-suppressed lattice conductivity of high-ZT In4Se3-x

Title
Vacancy-suppressed lattice conductivity of high-ZT In4Se3-x
Authors
지효석김형철이창훈이종수김무환매서드 카비아니심지훈
Keywords
Thermoelectric; In4Se3; Lattice thermal conductivity; Charge density wave; Molecular dynamics; Density functional theory
Issue Date
2013-03
Publisher
Physical review B, Condensed matter and materials physics
Citation
VOL 87, NO 12, 125111-1-125111-7
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.
URI
http://pubs.kist.re.kr/handle/201004/46188
ISSN
10980121
Appears in Collections:
KIST Publication > Article
Files in This Item:
There are no files associated with this item.
Export
RIS (EndNote)
XLS (Excel)
XML


qrcode

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

BROWSE