TY - JOUR
T1 - Retreat from Stress
T2 - Rattling in a Planar Coordination
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
N1 - Funding Information:
The authors thank K. Nakajima for inelastic neutron scattering measurements at BL14 of J-PARC (Proposal No. 2014B0254). The synchrotron radiation experiments were performed at BL02B2 of SPring-8 (Proposal No. 2015B0074). This work was supported financially by Japan Society for the Promotion of Science (JSPS) KAKENHI Grant No. JP26820296 (K.S.), Japan Science and Technology Agency (JST) Core Research for Evolutional Science and Technology (CREST) Grant No. JPMJCR16Q6, grant from the International Joint Research Program for Innovative Energy Technology funded by Ministry of Economy, Trade and Industry (METI), Japan.
Publisher Copyright:
© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2018/3/27
Y1 - 2018/3/27
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
C2 - 29388262
AN - SCOPUS:85041193646
VL - 30
JO - Advanced Materials
JF - Advanced Materials
SN - 0935-9648
IS - 13
M1 - 1706230
ER -