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松下 太樹*; 小沢 耀弘*; 荒木 康史; 藤本 純治*; 佐藤 昌利*
Physical Review B, 111(24), p.245131_1 - 245131_11, 2025/06
被引用回数:0We investigate the intrinsic spin Nernst effect (SNE), a transverse spin current induced by temperature gradients, in topological Dirac semimetals (TDSMs) and magnetic Weyl semimetals (MWSMs) with Ising spin-orbit coupling. The intrinsic SNE is described by the spin Berry curvature, which reflects the geometric nature of TDSMs and MWSMs. We clarified that the intrinsic SNE becomes significant when the Fermi energy is near, but slightly deviates from, the energy of the point nodes. In this situation, Bloch electrons with strong spin Berry curvature contribute to the SNE while avoiding carrier compensation between electrons and holes. We found that in TDSMs with small Fermi surfaces, the spin Nernst angle, which measures the efficiency of the SNE, is larger than that observed in heavy metals. This suggests that TDSMs with small Fermi surfaces can achieve efficient heat-to-spin current conversion. In MWSMs, variation in the magnitude of the exchange coupling with magnetic moments significantly changes the SNE, affecting both the direction and magnitude of the spin Nernst current. This implies that ferromagnetic transitions can be used to reverse the spin Nernst current. These results provide the fundamentals for future topological spin caloritronics.
Liu, P.-F.*; Li, X.*; Li, J.*; Zhu, J.*; Tong, Z.*; 古府 麻衣子*; 楡井 真実; Xu, J.*; Yin, W.*; Wang, F.*; et al.
National Science Review, 11(12), p.nwae216_1 - nwae216_10, 2024/12
被引用回数:13 パーセンタイル:94.32(Multidisciplinary Sciences)Crystalline solids exhibiting inherently low lattice thermal conductivity () are of great importance in applications such as thermoelectrics and thermal barrier coatings. However,
cannot be arbitrarily low and is limited by the minimum thermal conductivity related to phonon dispersions. In this work, we report the liquid-like thermal transport in a well-ordered crystalline CsAg
Te
, which exhibits an extremely low
value of
0.18 Wm
K
. On the basis of first-principles calculations and inelastic neutron scattering measurements, we find that there are lots of low-lying optical phonon modes at
3.1 meV hosting the avoided-crossing behavior with acoustic phonons. These strongly localized modes are accompanied by weakly bound rattling Ag atoms with thermally induced large amplitudes of vibrations. Using the two-channel model, we demonstrate that coupling of the particle-like phonon modes and the heat-carrying wave-like phonons is essential for understanding the low
, which is heavily deviated from the
temperature dependence of the standard Peierls theory. In addition, our analysis indicates that the soft structural framework with liquid-like motions of the fluctuating Ag atoms is the underlying cause that leads to the suppression of the heat conduction in CsAg
Te
. These factors synergistically account for the ultralow
value. Our results demonstrate that the liquid-like heat transfer could indeed exist in a well-ordered crystal.
Li, J.*; Li, X.*; Zhang, Y.*; Zhu, J.*; Zhao, E.*; 古府 麻衣子; 中島 健次; Avdeev, M.*; Liu, P.-F.*; Sui, J.*; et al.
Applied Physics Reviews (Internet), 11(1), p.011406_1 - 011406_8, 2024/03
被引用回数:11 パーセンタイル:89.71(Physics, Applied)The desire for intrinsically low lattice thermal conductivity () in thermoelectrics motivates numerous efforts on understanding the microscopic mechanisms of heat transport in solids. Here, based on theoretical calculations, we demonstrate that
-MgAgSb hosts low-energy localized phonon bands and avoided crossing of the rattler modes, which coincides with the inelastic neutron scattering result. Using the two-channel lattice dynamical approach, we find, besides the conventional contribution (
70% at 300 K) from particlelike phonons propagating, the coherence contribution dominated by the wavelike tunneling of phonons accounts for
30% of total
at 300 K. By considering dual contributions, our calculated room-temperature
of 0.64 Wm
K
well agrees with the experimental value of 0.63 Wm
K
. More importantly, our computations give a nonstandard
dependence, perfectly explaining the abnormal temperature-trend of
in experiment for
-MgAgSb. By molecular dynamics simulation, we reveal that the structure simultaneously has soft crystalline sublattices with the metavalent bonding and fluctuating liquid-like sublattices with thermally induced large amplitude vibrations. These diverse forms of chemical bonding arouse mixed part-crystal part-liquid state, scatter strongly heat-carrying phonons, and finally produce extremely low
. The fundamental research from this study will accelerate the design of ultralow-
materials for energy-conversion applications.
Ren, Q.*; Gupta, M. K.*; Jin, M.*; Ding, J.*; Wu, J.*; Chen, Z.*; Lin, S.*; Fabelo, O.*; Rodriguez-Velamazan, J. A.*; 古府 麻衣子; et al.
Nature Materials, 22(8), p.999 - 1006, 2023/08
被引用回数:78 パーセンタイル:99.19(Chemistry, Physical)Ultralow thermal conductivity and fast ionic diffusion endow superionic materials with excellent performance both as thermoelectric converters and as solid-state electrolytes. Yet the correlation and interdependence between these two features remain unclear owing to a limited understanding of their complex atomic dynamics. Here we investigate ionic diffusion and lattice dynamics in argyrodite AgSnSe
using synchrotron X-ray and neutron scattering techniques along with machine-learned molecular dynamics. We identify a critical interplay of the vibrational dynamics of mobile Ag and a host framework that controls the overdamping of low-energy Ag-dominated phonons into a quasi-elastic response, enabling superionicity. Concomitantly, the persistence of long-wavelength transverse acoustic phonons across the superionic transition challenges a proposed 'liquid-like thermal conduction' picture. Rather, a striking thermal broadening of low-energy phonons, starting even below 50 K, reveals extreme phonon anharmonicity and weak bonding as underlying features of the potential energy surface responsible for the ultralow thermal conductivity (
0.5 Wm
K
) and fast diffusion. Our results provide fundamental insights into the complex atomic dynamics in superionic materials for energy conversion and storage.
Rathore, E.*; Juneja, R.*; Sarkar, D.*; Roychowdhury, S.*; 古府 麻衣子; 中島 健次; Singh, A. K.*; Biswas, K.*
Materials Today Energy (Internet), 24, p.100953_1 - 100953_9, 2022/03
被引用回数:19 パーセンタイル:78.61(Chemistry, Physical)We demonstrate a high thermoelectric figure of merit (zT) of 1.45 at 900 K for Ge doped (4-10 mol%) -type PbS, which is the one of the highest values among all
-type PbS-based thermoelectric materials. This high performance is achieved by simultaneous (a) enhancement of covalency in chemical bonding which increases the electrical conductivity, and (b) reduction of lattice thermal conductivity to an ultra-low value of 0.56 W m
K
at 900 K by the introduction of nanometer-sized (5-10 nm) precipitates of Pb
GeS
in PbS matrix which strongly scatter the heat-carrying phonons. The presence of low-lying transverse acoustic (TA) and longitudinal acoustic (LA) phonon modes at 48.24 cm
and 91.83 cm
, respectively are experimentally revealed from inelastic neutron scattering (INS) experiments. The softening of low-frequency modes at a higher temperature and ultra-short phonon lifetime (1-4.5 ps) further explain the ultra-low thermal conductivity.
Wu, P.*; Fan, F.-R.*; 萩原 雅人*; 古府 麻衣子; Peng, K.*; 石川 喜久*; Lee, S.*; 本田 孝志*; 米村 雅雄*; 池田 一貴*; et al.
New Journal of Physics (Internet), 22(8), p.083083_1 - 083083_9, 2020/08
被引用回数:13 パーセンタイル:64.36(Physics, Multidisciplinary)熱電材料SnSeは、過去数年間で世界的な関心を呼び、その固有の強い格子非調和性は、その優れた熱電性能の重要な要素と見なされている。一方、SnSeにおける格子非調和性の理解は、特にフォノンダイナミクスがこの動作によってどのように影響を受けるかに関して、依然として不十分である。そのため、中性子全散乱,非弾性中性子散乱,ラマン分光法、および凍結フォノン計算により、NaSn
Se
S
の格子力学の包括的な研究を行った。格子非調和性は、対分布関数,非弾性中性子散乱、およびラマン測定によって確かめられた。熱膨張と多重フォノン散乱の影響を分離することにより、後者は高エネルギー光学フォノンモードで非常に重要であることがわかった。フォノンモードの強い温度依存性は、この系の非調和性を示している。さらに、我々のデータは、Sドーピングにより、高エネルギー光学フォノンの線幅が広がることを明らかにした。私たちの研究は、SnSeの熱電性能は、フォノンエンジニアリングを介して格子熱伝導率への高エネルギー光学フォノンモードの寄与を減らすことによってさらに強化できることを示唆する。
Li, X.*; Liu, P.-F.*; Zhao, E.*; Zhang, Z.*; Guide, T.*; Le, M. D.*; Avdeev, M.*; 池田 一貴*; 大友 季哉*; 古府 麻衣子; et al.
Nature Communications (Internet), 11, p.942_1 - 942_9, 2020/02
被引用回数:65 パーセンタイル:93.30(Multidisciplinary Sciences)高性能の熱電材料実現には低熱伝導率が必要であり、その機構としてはフォノンの非調和によるもの、あるいは、結晶構造の動的な乱れによるフォノンの散乱によるものがあげられ、どちらも中性子散乱でその現象が明らかにされている。我々は中性子散乱と第一原理計算を組み合わせ、-MgAgSbにおいて、静的な結晶構造の乱れとフォノンの非調和性が組み合わされて極端に低い熱伝導率が実現されているということを見いだしたので、これを報告する。
岩崎 悠真*; 竹内 一郎*; Stanev, V.*; Gilad Kusne, A.*; 石田 真彦*; 桐原 明宏*; 井原 和紀*; 澤田 亮人*; 寺島 浩一*; 染谷 浩子*; et al.
Scientific Reports (Internet), 9, p.2751_1 - 2751_7, 2019/02
被引用回数:84 パーセンタイル:94.04(Multidisciplinary Sciences)Thermoelectric technologies are becoming indispensable in the quest for a sustainable future. Recently, an emerging phenomenon, the spin-driven thermoelectric effect (STE), has garnered much attention as a promising path towards low cost and versatile thermoelectric technology with easily scalable manufacturing. However, progress in development of STE devices is hindered by the lack of understanding of the fundamental physics and materials properties responsible for the effect. In such nascent scientific field, data-driven approaches relying on statistics and machine learning, instead of more traditional modeling methods, can exhibit their full potential. Here, we use machine learning modeling to establish the key physical parameters controlling STE. Guided by the models, we have carried out actual material synthesis which led to the identification of a novel STE material with a thermopower an order of magnitude larger than that of the current generation of STE devices.
Wu, P.*; Zhang, B.*; Peng, K. L.*; 萩原 雅之*; 石川 喜久*; 古府 麻衣子; Lee, S. H.*; 組頭 広志*; Hu, C. S.*; Qi, Z. M.*; et al.
Physical Review B, 98(9), p.094305_1 - 094305_7, 2018/09
被引用回数:13 パーセンタイル:49.03(Materials Science, Multidisciplinary)熱電材料であるNaドープしたSnSeについて、ARPES, 中性子回折, 中性子非弾性散乱でその電子構造と格子ダイナミクスを測定した結果を報告する。
Lee, C. H.*; 西田 篤弘*; 長谷川 巧*; 西当 弘隆*; 國岡 春乃*; 河村 聖子; 中村 充孝; 中島 健次; 水口 佳一*
Applied Physics Letters, 112(2), p.023903_1 - 023903_4, 2018/01
被引用回数:32 パーセンタイル:75.98(Physics, Applied)LaOBiSSe
の低エネルギーフォノンを中性子非弾性散乱によって調べた。主にBi原子の振動に関連すると思われる分散のないフラットなフォノンが、比較的低いエネルギー
meVに観測された。このフォノンは、S原子よりも原子質量の大きいSeをドープし格子が膨張することによってソフト化する。同時に、Seドープにより格子熱伝導率が減少する。これらの結果は、LaOBiS
Se
が籠状構造を持たないにもかかわらず、Bi原子のラットリングが籠状化合物のラットリングのようにフォノンを散乱しうるということを示唆しており、それが熱電特性を向上させるのに寄与していると考えられる。
早川 虹雪; 馬酔木 ゆめの*; 村口 正和*; 小島 洋一郎*; 小田 将人*; 飯野 千秋*; 石井 宏幸*; 本田 充紀
no journal, ,
高温領域での新規熱電材料として土壌粘土鉱物が期待されているが、その熱電発現メカニズムは未解明である。我々は土壌粘土鉱物の一つである風化黒雲母(WB)に着目をして、そのメカニズム解明に取り組んでいる。WBはSi, Fe, Al, Mg, Kなどの元素で構成される。高温環境下ではWBの構造が変化することが赤外吸収分光法によるその場観察により分かっている。しかし詳しい構造の同定には至っていない。そこで本研究では、WBが熱電物性を発現する高温環境下で放射光XAFS分析を可能にする手法の開発に取り組み、室温から873Kまでのデータを取得することに成功した。