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Zn
Mo
O
Bao, S.*; Liao, J.*; Huang, Z.*; Shangguan, Y.*; Ma, Z.*; Zhang, B.*; Cheng, S.*; Xu, H.*; Song, Z.*; Dong, S.*; et al.
Physical Review Letters, 136(9), p.096502_1 - 096502_8, 2026/03
Lattice vibrations can carry angular momentum and magnetic moments under broken inversion or time-reversal symmetry, forming so-called chiral phonons. While such excitations have been explored in nonmagnetic systems via optical probes, their direct detection in magnetic materials and coupling to spin excitations remain largely unexplored. Here, using neutron spectroscopy, sensitive to both nuclear and magnetic scattering, we reveal the magnetic signature of chiral phonons in ferrimagnetic FeZnMoO with Curie temperature 
K. Below 
, we observe enhanced magnetic scattering of phonons at small momenta, arising from strong magnon-phonon coupling. In addition, out-of-plane intensity modulation, phonon mode splitting, and field-induced Zeeman shifts are observed, all closely associated with the ferrimagnetic order. These features vanish above , where phonon spectra are dominated by nuclear scattering. These observations demonstrate the existence of chiral phonons carrying substantial magnetic moments that directly contribute to magnetic scattering, and establish neutron spectroscopy as a powerful, momentum-resolved probe of their magnetic character.
RhZhang, J. Z.*; Chen, Z. Q.*; Qu, T.*; Wang, Y. K.*; Li, Z. H.*; Orlandi, R.; 他62名*
Physics Letters B, 873, p.140144_1 - 140144_9, 2026/02
被引用回数：0At the RIKEN, 
-delayed 
-ray spectroscopy studies were conducted on 
Rh and 
Rh, resulting in the world's first successful identification of a 1/2
isomer in these isotope, extending the energy difference between the 9/2
and 1/2 states up to neutron number 
=74. Comparison of the new results with state-of-the-art calculations suggests that triaxial deformation plays a significant role in the evolution of the energy difference, indicating a shape transition from axially symmetric to triaxial deformation within the Rh isotopic series. These findings provide new insights into the structure of neutron-rich nuclei in the atomic number 
region, elucidating the interplay between triaxial deformation and shell evolution.
Qin, T. Y.*; Hu, F. F.*; 徐 平光; Zhang, R.*; Su, Y. H.; Ao, N.*; Li, Z. W.*; 篠原 武尚; 菖蒲 敬久; Wu, S. C.*
International Journal of Fatigue, 202, p.109233_1 - 109233_16, 2026/01
被引用回数：2 パーセンタイル：0.00(Engineering, Mechanical)The surface induction-hardened S38C medium carbon steel shows a good balance of strength and toughness, but complicates the evaluation of fatigue resistance, mainly because of gradient residual stress (RS) and grains. An integrated fatigue resistance assessment (AIFA) framework was proposed to consider the residual stress relief under stochastic loads. To this end, quasi-in situ neutron diffraction and Bragg-edge imaging were combined to probe the evolution of residual stress during crack propagation. Firstly, a rigid-flexible coupled vehicle dynamics model was adopted to obtain the time-domain variable amplitude loading spectrum. Then, Fortran subroutines were developed to assign these data into full-scale S38C axle model, and the remaining life was predicted using the damage tolerance approach. The results demonstrate that crack propagation would accelerate when residual stress is considered in the case of the crack depth exceeding 3.0 mm. It is, for the first time, found that 15 mm- and 5 mm-thickness fan-shaped specimens can retain the axial and hoop residual strain in terms of diffraction angle variation, respectively, for full-scale structural S38C steel axles. In the absence of RS, the remaining life of the axle decreases sharply from 624,800 to 51,300 km as the crack depth increases from 3.0 to 16 mm. Compared with the standard method under constant amplitude loading without residual stress relief, the present AIFA method provides the more accurate but conservative fatigue life prediction.
Zhang, H.*; 梅原 裕太郎*; 堀口 直樹; 吉田 啓之; 江藤 淳朗*; 森 昌司*
Energy, 335, p.138090_1 - 138090_18, 2025/10
被引用回数：0 パーセンタイル：0.00(Thermodynamics)原子力発電は、カーボンニュートラルな未来を実現するための重要な低炭素エネルギー源である。沸騰水型原子炉(BWR)では、燃料棒周囲における蒸気と水の環状流が原子炉の安全性にとって極めて重要であるが、その高温高圧条件(285
C、7MPa)により、直接計測が困難である。この問題に対処するため、我々はHFC134a-エタノール系を低温定圧条件(40C、0.7MPa)で用いることで、BWRの液膜流の模擬実験を実施した。高速度カメラと定電流法を用いて、液膜特性、波速度および周波数を分析した。また表面張力と界面せん断応力の影響を調査した。さらに基底液膜厚さについて新たな相関関係を提案した。
Zhang, H.*; 梅原 裕太郎*; 堀口 直樹; 吉田 啓之; 森 昌司*
Proceedings of 12th International Conference of Fluid Flow, Heat and Mass Transfer (FFHMT 2025), P. 222_1, 2025/07
過去数十年にわたり、環状流の液膜特性(膜厚や波高など)は広く研究されてきた。しかし、過去研究における実験や解析のデータのほとんどは大気圧近傍条件下の空気水環状流のものに限定されていた。そのため、表面張力や気液密度比の変化も限定的であり、これらが環状流の液膜特性に及ぼす影響は十分に理解されていない。本研究の目的は、表面張力および気液密度比が環状流の波高および界面せん断応力に及ぼす影響を明らかにすることである。気液環状流の実験を行い、時間とともに変化する液膜の厚さを測定した。作動液体として水とエタノールを、作動気体として窒素とHFC134aガスを用いることで、表面張力を30.7
67.4mN/m、密度比を27434の範囲で変化させた。コンダクタンスプローブ法を用いた測定のセンサー精度は
である。測定データの後処理することで、液膜特性(ベース膜厚、平均膜厚、最大膜厚)およびじょう乱波の波高を推定した。実験の結果として、じょう乱波の波高のデータは界面せん断応力に対してプロットすると単一の曲線に収束した。これは、じょう乱波の形状が表面張力および界面せん断応力のバランスによって決まるためと考えられた。さらにポテンシャル法に基づく分析により、じょう乱波高さおよび界面せん断応力の間に直接的な関係があることがわかった。これらの知見は、環状流れのダイナミクスに関する理解を深め、二相流モデルの改良に貢献する。
Ag; Evidence for robustness of =82 shell closure in silver isotopesLuo, D. W.*; Zhang, J. Z.*; Li, Z. H.*; Orlandi, R.; 他64名*
Physical Review Letters, 134(23), p.232502_1 - 232502_7, 2025/06
被引用回数：2 パーセンタイル：58.26(Physics, Multidisciplinary)The first spectroscopic study of the neutron-rich Ag isotope at RIBF-RIKEN revealed a new 1.60(7) 
s seniority isomer with a proposed 16
spin-parity. Shell model calculations accurately describe its level structure, consistent with seniority schemes in nearby odd-odd nuclei. Level inversions between Ag and 
In's lowest states are linked to seniority-nonconserving interactions. The structure above 10 shows similarities to seniority structures in Pd and Cd, confirming the robustness of the =82 shell closure in silver isotopes.
Li, F.*; Tang, X.*; Fei, Y.*; Zhang, J.*; Liu, J.*; Lang, P.*; Che, G.*; Zhao, Z.*; Zheng, Y.*; Fang, Y.*; et al.
Journal of the American Chemical Society, 147(17), p.14054 - 14059, 2025/04
被引用回数：1 パーセンタイル：50.45(Chemistry, Multidisciplinary)2,2'-ビピラジン(BPZ)の圧力誘起重合により結晶性グラファンナノリボン(GANR)を合成した。中性子回折データのリートベルト精密化,核磁気共鳴スペクトル,赤外スペクトル,理論計算を行った結果、BPZは
積層した芳香環の間でディールス・アルダー重合し、並外れた長距離秩序を持つ伸びたボート型GANR構造を形成することがわかった。未反応の-C=N-基がボートの両端を橋渡ししており、さらなる機能化の余地がある。このGANRのバンドギャップは2.25eVであり、光電応答は良好である(I
/I
=18.8)。われわれの研究は、高圧トポケミカル重合法が、特定の構造と望んだ特性を持つグラファンの精密な合成に有望な方法であることを強調している。
Zhang, X.-T.*; Xing, Y.-H.*; Yao, X.-P.*; 大湊 友也*; Zhang, L.*; 松尾 衛
Communications Physics (Internet), 8, p.103_1 - 103_8, 2025/03
被引用回数：1 パーセンタイル：58.26(Physics, Multidisciplinary)Spin pumping effect is a sensitive and well-established experimental method in two-dimensional (2D) magnetic materials. We propose that spin pumping effect can be a valuable probe for non-Fermi liquid (NFL) behaviors at the 2D interface of magnetic heterostructures. We show that the modulations of ferromagnetic resonance exhibit power-law scalings in frequency and temperature for NFL metals induced near a quantum critical point (QCP). At the Ising nematic QCP, we demonstrate that the enhanced Gilbert damping coefficient 
acquires negative power-law exponents in distinct frequency regimes. The exponents convey universal parameters inherited from the QCP and reflect the non- quasiparticle nature of the spin carriers in the NFL metal. At finite temperature, we show that the Gilbert damping mechanism is restored in the quantum critical regime and measures the temperature dependence of the correlation length.
Xu, J.*; Lang, P.*; Liang, S.*; Zhang, J.*; Fei, Y.*; Wang, Y.*; Gao, D.*; 服部 高典; 阿部 淳*; Dong, X.*; et al.
Journal of Physical Chemistry Letters (Internet), 16(10), p.2445 - 2451, 2025/03
被引用回数：2 パーセンタイル：79.87(Chemistry, Physical)アルダー-エン反応は、アルケンとアリル水素との化学反応であり、C-C結合を構築する効率的な方法である。従来、この反応には触媒、高温、あるいは光触媒が必要であった。本研究では、触媒を用いずに室温下で加圧することで成功した1-ヘキセンのアルダー-エン反応を報告する。1-ヘキセンは4.3GPaで結晶化し、18GPaで重合してオレフィンを形成する。ガスクロマトグラフィー-質量分析法により、1-ヘキセンが高圧下でのアルダー-エン反応により二量体を生成することを発見した。その場中性子回折から、この反応過程はトポケミカル則に従わないことがわかった。理論計算により、1つのC-H 
結合と2つのアルケン結合を含む6員環遷移状態が示され、そのエネルギーは20GPaまで圧縮すると明らかに減少した。本研究は、触媒を用いずに室温でアルダー-エン反応を実現する新規かつ有望な方法を提供し、この重要な反応の応用を拡大するものである。
Rajeev, H. S.*; Hu, X.*; Chen, W.-L.*; Zhang, D.*; Chen, T.*; 古府 麻衣子*; 梶本 亮一; 中村 充孝; Chen, A. Z.*; Johnson, G. C.*; et al.
Journal of the Physical Society of Japan, 94(3), p.034602_1 - 034602_14, 2025/03
被引用回数：1 パーセンタイル：58.26(Physics, Multidisciplinary)Two-dimensional hybrid organic-inorganic perovskites (HOIPs) have emerged as promising materials for light-emitting diode applications. In this study, by using time-of-flight neutron spectroscopy we identified and quantitatively separated the lattice vibrational and molecular rotational dynamics of two perovskites, butylammonium lead iodide (BA)
PbI
and phenethyl-ammonium lead iodide (PEA)PbI. By examining the corresponding temperature dependence, we found that the lattice vibrations, as evidenced by neutron spectra, are consistent with the lattice dynamics obtained from Raman scattering. We revealed that the rotational dynamics of organic molecules in these materials tend to suppress their photoluminescence quantum yield (PLQY) while the vibrational dynamics did not show predominant correlations with the same. Additionally, we observed photoluminescence emission peak splitting for both systems, which becomes prominent above certain critical temperatures where the suppression of PLQY begins. This study suggests that the rotational motions of polarized molecules may lead to a reduction in exciton binding energy or the breaking of degeneracy in exciton binding energy levels, enhancing non-radiative recombination rates, and consequently reducing photoluminescence yield. These findings offer a deeper understanding of fundamental interactions in 2D HOIPs and could guide the design of more efficient light-emitting materials for advanced technological applications.
Yang, X.*; Che, G.*; Wang, Y.*; Zhang, P.*; Tang, X.*; Lang, P.*; Gao, D.*; Wang, X.*; Wang, Y.*; 服部 高典; et al.
Nano Letters, 25(3), p.1028 - 1035, 2025/01
被引用回数：5 パーセンタイル：88.38(Chemistry, Multidisciplinary)飽和sp
-カーボンナノスレッド(CNTh)は、その高いヤング率と熱伝導率が予測され、大きな関心を集めている。中心環へのヘテロ原子の導入がCNThの形成に影響を与え、化学的に均質な生成物が得られることが示されているが、ペンダント基が重合プロセスに与える影響については、まだ未解明である。本研究では、フェノールの圧力誘起重合を調べ、0.5GPaと4GPa以下で起こる2つの相転移を明らかにした。20GPa以上では、フェノールは水酸基とカルボニル基を持つ重合度4のCNTに重合する。ヒドロキシル基の水素移動は、重合度6のナノスレッドの形成を妨げることがわかった。この発見は、さらなるカラム内重合を阻止する水酸基の重要な役割を浮き彫りにし、今後のメカニズム研究やナノ材料合成に貴重な示唆を与えるものである。
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：21 パーセンタイル：91.45(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 CsAgTe. 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.
Ying, H.*; Yang, X.*; He, H.*; Yan, A.*; An, K.*; Ke, Y.*; Wu, Z.*; Tang, S.*; Zhang, Z.*; Dong, H.*; et al.
Scripta Materialia, 250, p.116181_1 - 116181_7, 2024/09
被引用回数：11 パーセンタイル：79.58(Nanoscience & Nanotechnology)Nanoscale chemical fluctuations and their effect on the deformation behavior of CrFeCoNi-based high-entropy alloys (HEAs) were investigated using small-angle scattering and in situ neutron diffraction measurements. Small-angle scattering results demonstrated the presence of nano (
10 nm) chemical fluctuations in the as-prepared CrFeCoNiPd HEAs, which was attributed to the negative mixing of enthalpy and the significant atomic radius difference between Pd and the constituent elements in the CrFeCoNi-based alloys. Subsequent tensile tests demonstrated that the yield and tensile strengths of the as-prepared CrFeCoNiPd HEA surpass those of the as-prepared CrMnFeCoNi HEA. Neutron diffraction data analysis revealed an anomalous response of dislocation evolution with the strain.
Qin, T. Y.*; Hu, F. F.*; 徐 平光; Zhang, H.*; Zhou, L.*; Ao, N.*; Su, Y. H.; 菖蒲 敬久; Wu, S. C.*
International Journal of Fatigue, 185, p.108336_1 - 108336_13, 2024/08
被引用回数：14 パーセンタイル：89.34(Engineering, Mechanical)Gradient distribution of triaxial residual stresses to a depth of several millimeters is retained in middle carbon steel S38C axles after high-frequency induction hardening, which has become a critical concern for fatigue structural integrity. To address this, the axial, hoop, and radial gradient residual strains inside the axles were measured for the first time by advanced neutron diffraction. The SIGINI Fortran subroutine was then adopted to reconstruct the global initial residual stress field from the measured data. Experimental and simulation results show that residual stresses of about -520 MPa (axial), -710 MPa (hoop), and -40 MPa (radial) residual stress were retained below the axle surface. Subsequently, the fatigue crack propagation behavior of S38C axles was numerically investigated in the framework of fracture mechanics. The calculated results clearly show that the compressive residual stresses at a depth of 0?3 mm from the axle surface lead to a low crack growth driving force, and that fatigue cracks do not propagate as long as the crack depth is less than 3.7 mm for hollow S38C axles. These results further indicate that the maximum defect size allowed in routine inspections is acceptable from a safety and economic point of view. Accurate measurement and characterization of the global gradient residual stress field through experiments and simulations can provide an important reference for optimizing the mileage intervals of nondestructive testing (NDT) of surface defects in these surface-strengthened railway axles.
Zhou, L.*; Zhang, H.*; Qin, T. Y.*; Hu, F. F.*; 徐 平光; Ao, N.*; Su, Y. H.; He, L. H.*; Li, X. H.*; Zhang, J. R.*; et al.
Metallurgical and Materials Transactions A, 55(7), p.2175 - 2185, 2024/07
被引用回数：4 パーセンタイル：51.23(Materials Science, Multidisciplinary)High-speed railway S38C axles undergo surface induction hardening for durability, but are susceptible to fatigue cracks from foreign object impact. The neutron diffraction method was employed to measure the residual strain in S38C axles, obtaining microscopic lattice distortion data, for the gradient layer at a depth of 8 mm under the surface. The results showed that after induction-hardening, the microscopic lattice distortion had a gradient distribution, decreasing with the distance from the surface. However, in the case of impacting speed of 600 km/m, the average microscopic lattice distortion increased with the distance from the surface, reaching a maximum augmentation of 55 pct. These findings indicate a strong experimental basis, and improve our understanding of the relationship between macroscopic residual stress and decision-making, in regard to operation and maintenance.
Zeng, Z.*; Zhou, C.*; Zhou, H.*; Han, L.*; Chi, R.*; Li, K.*; 古府 麻衣子; 中島 健次; Wei, Y.*; Zhang, W.*; et al.
Nature Physics, 20(7), p.1097 - 1102, 2024/07
被引用回数：21 パーセンタイル：95.80(Physics, Multidisciplinary)Emergent quasiparticles with a Dirac dispersion in condensed matter systems can be described by the Dirac equation for relativistic electrons, in analogy with Dirac particles in high-energy physics. For example, electrons with a Dirac dispersion have been intensively studied in electronic systems such as graphene and topological insulators. However, charge is not a prerequisite for Dirac fermions, and the emergence of Dirac fermions without a charge degree of freedom has been theoretically predicted to be realized in Dirac quantum spin liquids. These quasiparticles carry a spin of 1/2 but are charge-neutral and so are called spinons. Here we show that the spin excitations of a kagome antiferromagnet, YCu(OD)
Br
[Br
(OD)
], are conical with a spin continuum inside, which is consistent with the convolution of two Dirac spinons. The predictions of a Dirac spin liquid model with a spinon velocity obtained from spectral measurements are in agreement with the low-temperature specific heat of the sample. Our results, thus, provide spectral evidence for a Dirac quantum spin liquid state emerging in this kagome lattice antiferromagnet. However, the locations of the conical spin excitations differ from those calculated by the nearest-neighbor Heisenberg model, suggesting the Dirac spinons have an unexpected origin.
Wang, S.*; Wang, J.*; Zhang, S.*; Wei, D.*; Chen, Y.*; Rong, X.*; Gong, W.; Harjo, S.; Liu, X.*; Jiao, Z.*; et al.
Journal of Materials Science & Technology, 185, p.245 - 258, 2024/06
被引用回数：27 パーセンタイル：97.32(Materials Science, Multidisciplinary)Nanoprecipitates and nanoscale retained austenite (RA) with suitable stability play crucial roles in determining the yield strength (YS) and ductility of ultrahigh strength steels (UHSSs). However, owing to the kinetics incompatibility between nanoprecipitation and austenite reversion, it is highly challenging to simultaneously introduce high-density nanoprecipitates and optimized RA in UHSSs. In this work, through the combination of austenite reversion treatment (ART) and subsequent flash austenitizing (FA), nanoscale chemical heterogeneity was successfully introduced into a low-cost UHSS prior to the aging process. This chemical heterogeneity involved the enrichment of Mn and Ni in the austenite phase. The resulting UHSS exhibited dual-nanoprecipitation of Ni(Al,Mn) and (Mo,Cr) C and nanoscale austenite stabilized via Mn and Ni enrichment. The hard martensitic matrix strengthened by high-density dual-nanoprecipitates constrains the plastic deformation of soft RA with a relatively low fraction, and the presence of relatively stable nanoscale RA with adequate Mn and Ni enrichment leads to a marginal loss in YS but keeps a persistent transformation-induced plasticity (TRIP) effect. As a result, the newly-developed UHSS exhibits an ultrahigh YS of 1.7 GPa, an ultimate tensile strength (UTS) of 1.8 GPa, a large uniform elongation (UE) of 8.5 percent, and a total elongation (TE) of 13 percent. The strategy of presetting chemical heterogeneity to introduce proper metastable phases before aging can be extended to other UHSSs and precipitation-hardened alloys.
Liao, J.*; Huang, Z.*; Shangguan, Y.*; Zhang, B.*; Cheng, S.*; Xu, H.*; 梶本 亮一; 蒲沢 和也*; Bao, S.*; Wen, J.*
Physical Review B, 109(22), p.224411_1 - 224411_10, 2024/06
被引用回数：1 パーセンタイル：14.28(Materials Science, Multidisciplinary)Antiferromagnetic van der Waals family 
P
( = Fe, Mn, Co, and Ni; 
= S and Se) have attracted significant research attention due to the possibility of realizing long-range magnetic order down to the monolayer limit. Here, we perform inelastic neutron scattering measurements on single-crystal samples of MnPSe, a member of the P family, to study the spin dynamics and determine the effective spin model. The excited magnon bands are well characterized by a spin model, which includes a Heisenberg term with three intraplane exchange parameters (
meV, 
meV, 
meV) and one interplane parameter (
meV), and an easy-plane single-ion anisotropy term (
meV). Additionally, we observe the intersection of the magnon and phonon bands but no anomalous spectral features induced by the formation of magnon-phonon hybrid excitations at the intersecting region. We discuss possible reasons for the absence of such hybrid excitations in MnPSe.
Guo, B.*; Chen, H.*; Chong, Y.*; Mao, W.; Harjo, S.; Gong, W.; Zhang, Z.*; Jonas, J. J.*; 辻 伸泰*
Acta Materialia, 268, p.119780_1 - 119780_11, 2024/04
被引用回数：22 パーセンタイル：95.59(Materials Science, Multidisciplinary)This paper focused on the characterization and mechanism of the dynamic transformation from the alpha to beta phase during the hot deformation of Ti-6Al-4V alloy and pure titanium. The investigation employed in-situ neutron diffraction and atomistic simulations for a comprehensive understanding of the process. Dynamic transformations were observed during deformation of the Ti-6Al-4V alloy and pure titanium below the beta transus temperatures. During isothermal holding after unloading, the in-situ neutron diffraction results for Ti-6Al-4V and pure titanium indicated a sluggish reverse transformation from the beta to alpha phase. The mechanism of dynamic transformation was explored through in-situ neutron diffraction and atomistic simulations, which revealed twofold effects of deformation on dynamic transformation. Firstly, deformation led to a significant rise in the Gibbs energy of the alpha phase relative to the beta phase, expanding the beta phase region and diminishing the alpha phase region. Secondly, deformation lowered the energy barriers associated with dynamic transformation, facilitating the activation of dynamic transformation more readily than in the equilibrium state before deformation.
-MgAgSbLi, 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：16 パーセンタイル：90.39(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 WmK well agrees with the experimental value of 0.63 WmK. 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.
