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Journal Articles

Crystal-liquid duality driven ultralow two-channel thermal conductivity in $$alpha$$-MgAgSb

Li, J.*; Li, X.*; Zhang, Y.*; Zhu, J.*; Zhao, E.*; Kofu, Maiko; Nakajima, Kenji; Avdeev, M.*; Liu, P.-F.*; Sui, J.*; et al.

Applied Physics Reviews (Internet), 11(1), p.011406_1 - 011406_8, 2024/03

 Times Cited Count:0 Percentile:0.01(Physics, Applied)

Journal Articles

Extreme phonon anharmonicity underpins superionic diffusion and ultralow thermal conductivity in argyrodite Ag$$_{8}$$SnSe$$_{6}$$

Ren, Q.*; Gupta, M. K.*; Jin, M.*; Ding, J.*; Wu, J.*; Chen, Z.*; Lin, S.*; Fabelo, O.*; Rodriguez-Velamazan, J. A.*; Kofu, Maiko; et al.

Nature Materials, 22, p.999 - 1006, 2023/05

 Times Cited Count:26 Percentile:99.21(Chemistry, Physical)

Journal Articles

Enhanced covalency and nanostructured-phonon scattering lead to high thermoelectric performance in $$n$$-type PbS

Rathore, E.*; Juneja, R.*; Sarkar, D.*; Roychowdhury, S.*; Kofu, Maiko; Nakajima, Kenji; Singh, A. K.*; Biswas, K.*

Materials Today Energy (Internet), 24, p.100953_1 - 100953_9, 2022/03

 Times Cited Count:14 Percentile:87.21(Chemistry, Physical)

Journal Articles

Strong lattice anharmonicity exhibited by the high-energy optical phonons in thermoelectric material

Wu, P.*; Fan, F.-R.*; Hagihara, Masato*; Kofu, Maiko; Peng, K.*; Ishikawa, Yoshihisa*; Lee, S.*; Honda, Takashi*; Yonemura, Masao*; Ikeda, Kazutaka*; et al.

New Journal of Physics (Internet), 22(8), p.083083_1 - 083083_9, 2020/08

 Times Cited Count:9 Percentile:57.85(Physics, Multidisciplinary)

Thermoelectric material SnSe has aroused world-wide interests in the past years, and its inherent strong lattice anharmonicity is regarded as a crucial factor for its outstanding thermoelectric performance. However, the understanding of lattice anharmonicity in SnSe system remains inadequate, especially regarding how phonon dynamics are affected by this behavior. In this work, we present a comprehensive study of lattice dynamics on Na$$_{0.003}$$Sn$$_{0.997}$$Se$$_{0.9}$$S$$_{0.1}$$ by means of neutron total scattering, inelastic neutron scattering, Raman spectroscopy as well as frozen-phonon calculations. Lattice anharmonicity is evidenced by pair distribution function, inelastic neutron scattering and Raman measurements. By separating the effects of thermal expansion and multi-phonon scattering, we found that the latter is very significant in high-energy optical phonon modes. The strong temperature-dependence of these phonon modes indicate the anharmonicity in this system. Moreover, our data reveals that the linewidths of high-energy optical phonons become broadened with mild doping of sulfur. Our studies suggest that the thermoelectric performance of SnSe could be further enhanced by reducing the contributions of high-energy optical phonon modes to the lattice thermal conductivity via phonon engineering.

Journal Articles

Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline $$alpha$$-MgAgSb

Li, X.*; Liu, P.-F.*; Zhao, E.*; Zhang, Z.*; Guide, T.*; Le, M. D.*; Avdeev, M.*; Ikeda, Kazutaka*; Otomo, Toshiya*; Kofu, Maiko; et al.

Nature Communications (Internet), 11, p.942_1 - 942_9, 2020/02

 Times Cited Count:37 Percentile:89.98(Multidisciplinary Sciences)

In high-performance thermoelectric materials, there are two main low thermal conductivity mechanisms: the phonon anharmonic and phonon scattering resulting from the dynamic disorder, which have been successfully revealed by inelastic neutron scattering. Using neutron scattering and ab initio calculations, we report here a mechanism of static local structure distortion combined with phonon-anharmonic-induced ultralow lattice thermal conductivity in $$alpha$$-MgAgSb. Since the transverse acoustic phonons are almost fully scattered by the intrinsic distorted rocksalt sublattice in this compound, the heat is mainly transported by the longitudinal acoustic phonons. The ultralow thermal conductivity in $$alpha$$-MgAgSb is attributed to its atomic dynamics being altered by the structure distortion, which presents a possible microscopic route to enhance the performance of similar thermoelectric materials.

Journal Articles

Machine-learning guided discovery of a new thermoelectric material

Iwasaki, Yuma*; Takeuchi, Ichiro*; Stanev, V.*; Gilad Kusne, A.*; Ishida, Masahiko*; Kirihara, Akihiro*; Ihara, Kazuki*; Sawada, Ryoto*; Terashima, Koichi*; Someya, Hiroko*; et al.

Scientific Reports (Internet), 9, p.2751_1 - 2751_7, 2019/02

 Times Cited Count:61 Percentile:93.15(Multidisciplinary Sciences)

Journal Articles

Investigation of the electronic structure and lattice dynamics of the thermoelectric material Na-doped SnSe

Wu, P.*; Zhang, B.*; Peng, K. L.*; Hagiwara, Masayuki*; Ishikawa, Yoshihisa*; Kofu, Maiko; Lee, S. H.*; Kumigashira, Hiroshi*; Hu, C. S.*; Qi, Z. M.*; et al.

Physical Review B, 98(9), p.094305_1 - 094305_7, 2018/09

 Times Cited Count:11 Percentile:48.71(Materials Science, Multidisciplinary)

Using angle-resolved photoemission spectroscopy and inelastic neutron scattering, we have studied how electronic structures and lattice dynamics evolve with temperature in Na-doped SnSe.

Journal Articles

Effect of rattling motion without cage structure on lattice thermal conductivity in LaOBiS$$_{2-x}$$Se$$_x$$

Lee, C. H.*; Nishida, Atsuhiro*; Hasegawa, Takumi*; Nishiate, Hirotaka*; Kunioka, Haruno*; Kawamura, Seiko; Nakamura, Mitsutaka; Nakajima, Kenji; Mizuguchi, Yoshikazu*

Applied Physics Letters, 112(2), p.023903_1 - 023903_4, 2018/01

 Times Cited Count:28 Percentile:77.56(Physics, Applied)

Low energy phonons in LaOBiS$$_{2-x}$$Se$$_x$$ are studied using inelastic neutron scattering. Dispersionless flat phonon branches that are mainly associated with a large vibration of Bi atoms are observed at a relatively low energy of $$E$$ = 6 - 6.7 meV. The phonon energy softens upon Se doping owing to its heavier atomic mass than S atom and the expansion of lattice constant. Simultaneously, the lattice thermal conductivity lowered upon Se doping as the same manner of the phonon softening. These suggest that despite the lack of an oversized cage in LaOBiS$$_{2-x}$$Se$$_x$$, rattling motions of Bi atoms can scatter phonon like rattling in cage compounds, contributing to enhance the thermoelectric property.

Oral presentation

Development of XAFS analysis method under high temperature condition to elucidate the mechanism of thermoelectric conversion of soil clay minerals

Hayakawa, Kosetsu; Masebo, Yumeno*; Muraguchi, Masakazu*; Kojima, Yoichiro*; Oda, Masato*; Iino, Chiaki*; Ishii, Hiroyuki*; Honda, Mitsunori

no journal, , 

Soil clay minerals are expected to be a new thermoelectric material in the high temperature range, but the mechanism of their thermoelectricity has not been clarified yet. We have focused on weathered biotite (WB), a soil clay mineral composed of elements such as Si, Fe, Al, Mg, and K. We have found that the structure of WB changes under high temperature conditions, which can be observed by infrared absorption spectroscopy. In-situ observation by infrared absorption spectroscopy has shown that the structure of WB changes under high temperature conditions. However, the detailed structure has not yet been identified. In this study, we developed a method for synchrotron XAFS analysis of WB at high temperatures, where thermoelectric properties are observed, and succeeded in obtaining data from room temperature up to 873K.

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