Abstract
Thermoelectric devices convert heat flow to charge flow, providing electricity. Materials for highly efficient devices must satisfy conflicting requirements of high electrical conductivity and low thermal conductivity. Thermal conductivity in caged compounds is known to be suppressed by a large vibration of guest atoms, so-called rattling, which effectively scatters phonons. Here, the crystal structure and phonon dynamics of tetrahedrites (Cu,Zn)12(Sb,As)4S13 are studied. The results reveal that the Cu atoms in a planar coordination are rattling. In contrast to caged compounds, chemical pressure enlarges the amplitude of the rattling vibration in the tetrahedrites so that the rattling atom is squeezed out of the planar coordination. Furthermore, the rattling vibration shakes neighbors through lone pairs of the metalloids, Sb and As, which is responsible for the low thermal conductivity of tetrahedrites. These findings provide a new strategy for the development of highly efficient thermoelectric materials with planar coordination.
| Language | English |
|---|---|
| Journal | Advanced Materials |
| DOIs | |
| State | Accepted/In press - Jan 1 2018 |
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All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Mechanics of Materials
- Mechanical Engineering
Cite this
Retreat from Stress : Rattling in a Planar Coordination. / Suekuni, Koichiro; Lee, Chul Ho; Tanaka, Hiromi I.; Nishibori, Eiji; Nakamura, Atsushi; Kasai, Hidetaka; Mori, Hitoshi; Usui, Hidetomo; Ochi, Masayuki; Hasegawa, Takumi; Nakamura, Mitsutaka; Ohira-Kawamura, Seiko; Kikuchi, Tatsuya; Kaneko, Koji; Nishiate, Hirotaka; Hashikuni, Katsuaki; Kosaka, Yasufumi; Kuroki, Kazuhiko; Takabatake, Toshiro.
In: Advanced Materials, 01.01.2018.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Retreat from Stress
T2 - Advanced Materials
AU - Suekuni,Koichiro
AU - Lee,Chul Ho
AU - Tanaka,Hiromi I.
AU - Nishibori,Eiji
AU - Nakamura,Atsushi
AU - Kasai,Hidetaka
AU - Mori,Hitoshi
AU - Usui,Hidetomo
AU - Ochi,Masayuki
AU - Hasegawa,Takumi
AU - Nakamura,Mitsutaka
AU - Ohira-Kawamura,Seiko
AU - Kikuchi,Tatsuya
AU - Kaneko,Koji
AU - Nishiate,Hirotaka
AU - Hashikuni,Katsuaki
AU - Kosaka,Yasufumi
AU - Kuroki,Kazuhiko
AU - Takabatake,Toshiro
PY - 2018/1/1
Y1 - 2018/1/1
N2 - Thermoelectric devices convert heat flow to charge flow, providing electricity. Materials for highly efficient devices must satisfy conflicting requirements of high electrical conductivity and low thermal conductivity. Thermal conductivity in caged compounds is known to be suppressed by a large vibration of guest atoms, so-called rattling, which effectively scatters phonons. Here, the crystal structure and phonon dynamics of tetrahedrites (Cu,Zn)12(Sb,As)4S13 are studied. The results reveal that the Cu atoms in a planar coordination are rattling. In contrast to caged compounds, chemical pressure enlarges the amplitude of the rattling vibration in the tetrahedrites so that the rattling atom is squeezed out of the planar coordination. Furthermore, the rattling vibration shakes neighbors through lone pairs of the metalloids, Sb and As, which is responsible for the low thermal conductivity of tetrahedrites. These findings provide a new strategy for the development of highly efficient thermoelectric materials with planar coordination.
AB - Thermoelectric devices convert heat flow to charge flow, providing electricity. Materials for highly efficient devices must satisfy conflicting requirements of high electrical conductivity and low thermal conductivity. Thermal conductivity in caged compounds is known to be suppressed by a large vibration of guest atoms, so-called rattling, which effectively scatters phonons. Here, the crystal structure and phonon dynamics of tetrahedrites (Cu,Zn)12(Sb,As)4S13 are studied. The results reveal that the Cu atoms in a planar coordination are rattling. In contrast to caged compounds, chemical pressure enlarges the amplitude of the rattling vibration in the tetrahedrites so that the rattling atom is squeezed out of the planar coordination. Furthermore, the rattling vibration shakes neighbors through lone pairs of the metalloids, Sb and As, which is responsible for the low thermal conductivity of tetrahedrites. These findings provide a new strategy for the development of highly efficient thermoelectric materials with planar coordination.
UR - http://www.scopus.com/inward/record.url?scp=85041193646&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85041193646&partnerID=8YFLogxK
U2 - 10.1002/adma.201706230
DO - 10.1002/adma.201706230
M3 - Article
JO - Advanced Materials
JF - Advanced Materials
SN - 0935-9648
ER -