Revealing the phonon properties for thermoelectric materials by neutron scattering
-
GRAPHICAL ABSTRACT
-
PUBLIC SUMMARY
-
Crystal structure correlations between high-performance thermoelectric material families are overviewed.
Phonon properties and origins investigated by neutron scattering are summarized.
Challenges and perspectives are introduced and envisioned.
-
-
ABSTRACT
Thermoelectric (TE) materials are widely investigated for their ability to directly interconvert electrical and thermal energy, with applications in waste-heat recovery, renewable energy and energy storage. As a quantum many-body problem in strongly correlated systems, exploring the elementary excitations and the complex couplings is crucial for designing and optimizing efficient energy-conversion materials. For TE materials, electronic manipulation and thermal transport engineering are two effective strategies for enhancing heat-to-electricity conversion efficiency. The lattice thermal conductivity, κlat, is the only independent parameter for optimizing the TE performance and attracts the interest of both theorists and experimentalists. Phonon engineering is essential to effectively manage lattice thermal transport. Recent progress in theoretical models and experimental techniques enables us not only to directly simulate and capture the phonon properties but also to establish clear physical pictures of phonon engineering to understand these advanced functional TE materials. An overview of employing the neutron scattering technique to investigate phonon engineering is introduced. -
-
REFERENCES
[1] Chu, S., and Majumdar, A. (2012). Opportunities and challenges for a sustainable energy future. Nature 488(7411): 294−303. DOI: 10.1038/nature11475. [2] Wang, Y., Alonso, J.M., and Ruan, X. (2017). A Review of LED Drivers and Related Technologies. IEEE Trans. Ind. Electron. 64(7): 5754−5765. DOI: 10.1109/tie.2017.2677335. [3] Xiao, Y., Xue, Q., Liu, X., et al. (2024). Lead-free perovskite LEDs powered by cyanuric acid. The Innovation 5(1): 100553. DOI: 10.1016/j.xinn.2023.100553. [4] Zhang, F., Miao, X., van Dijk, N., et al. (2024). Advanced Magnetocaloric Materials for Energy Conversion: Recent Progress, Opportunities, and Perspective. Adv. Energy Mater. 14(21): 2400369. DOI: 10.1002/aenm.202400369. [5] Woolley, E., Luo, Y., and Simeone, A. (2018). Industrial waste heat recovery: A systematic approach. Sustain. Energy Technol. Assess. 29: 50−59. DOI: 10.1016/j.seta.2018.07.001. [6] He, J., and Tritt, T.M. (2017). Advances in thermoelectric materials research: Looking back and moving forward. Science 357(6358): eaak9997. DOI: 10.1126/science.aak9997. [7] Sootsman, J.R., Chung, D.Y., and Kanatzidis, M.G. (2009). New and old concepts in thermoelectric materials. Angew. Chem. Int. Ed. Engl. 48(46): 8616−8639. DOI: 10.1002/anie.200900598. [8] Bell, L.E. (2008). Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems. Science 321(5895): 1457−1461. DOI: 10.1126/science.1158899. [9] Ma, D., Ma, Y., Ma, J., et al. (2024). Energy conversion materials need phonons. The Innovation 5 (6). DOI: 10.1016/j.xinn.2024.100709. [10] Wood, C. (1988). Materials for thermoelectric energy conversion. Rep. Prog. Phys. 51(4): 459−539. DOI: 10.1088/0034-4885/51/4/001. [11] Snyder, G.J., and Toberer, E.S. (2008). Complex thermoelectric materials. Nat. Mater. 7(2): 105−114. DOI: 10.1038/nmat2090. [12] Pei, Y., Shi, X., LaLonde, A., et al. (2011). Convergence of electronic bands for high performance bulk thermoelectrics. Nature 473(7345): 66−69. DOI: 10.1038/nature09996. [13] Pei, Y., Wang, H., and Snyder, G.J. (2012). Band Engineering of Thermoelectric Materials. Adv. Mater. 24(46): 6125−6135. DOI: 10.1002/adma.201202919. [14] Qian, X., Zhou, J., and Chen, G. (2021). Phonon-engineered extreme thermal conductivity materials. Nat. Mater. 20(9): 1188−1202. DOI: 10.1038/s41563-021-00918-3. [15] Ma, J. (2022). Phonon Engineering of Micro‐ and Nanophononic Crystals and Acoustic Metamaterials: A Review. Small Sci. 3(1): 2200052. DOI: 10.1002/smsc.202200052. [16] Maldovan, M. (2013). Sound and heat revolutions in phononics. Nature 503(7475): 209−217. DOI: 10.1038/nature12608. [17] Allen, P.B., Feldman, J.L., Fabian, J., and Wooten, F. (2009). Diffusons, locons and propagons: Character of atomic vibrations in amorphous Si. Philos. Mag. B 79(11-12): 1715−1731. DOI: 10.1080/13642819908223054. [18] Ziman, J.M. (2001). Electrons and Phonons: The Theory of Transport Phenomena in Solids. In (Clarendon Press,Oxford). [19] Uoyama, H., Goushi, K., Shizu, K., et al. (2012). Highly efficient organic light-emitting diodes from delayed fluorescence. Nature 492(7428): 234−238. DOI: 10.1038/nature11687. [20] Xiong, Z.H., Wu, D., Valy Vardeny, Z., and Shi, J. (2004). Giant magnetoresistance in organic spin-valves. Nature 427(6977): 821−824. DOI: 10.1038/nature02325. [21] Roy, K., Padmanabhan, M., Goswami, S., et al. (2013). Graphene–MoS2 hybrid structures for multifunctional photoresponsive memory devices. Nat. Nanotechnol. 8(11): 826−830. DOI: 10.1038/nnano.2013.206. [22] Cao, Y., Jiang, K.a., Zhao, Z., and Wang, H. (2023). Laser-amplified nonvolatile charge trapping effect in semiconductor quantum dot structures. Optica 10(7): 897−904. DOI: 10.1364/optica.492416. [23] Peierls, R. (2006). Zur kinetischen Theorie der Wärmeleitung in Kristallen. Ann. Phys. 395(8): 1055−1101. DOI: 10.1002/andp.19293950803. [24] Callaway, J. (1959). Model for Lattice Thermal Conductivity at Low Temperatures. Phys. Rev. 113(4): 1046−1051. DOI: 10.1103/PhysRev.113.1046. [25] Allen, P.B., and Feldman, J.L. (1993). Thermal conductivity of disordered harmonic solids. Phys. Rev. B 48(17): 12581−12588. DOI: 10.1103/PhysRevB.48.12581. [26] Somayajulu, G.R. (1958). Dependence of Force Constant on Electronegativity, Bond Strength, and Bond Order VII. J. Chem. Phys. 28(5): 814−821. DOI: 10.1063/1.1744276. [27] Epp, J. (2016). 4 - X-ray diffraction (XRD) techniques for materials characterization. In Materials Characterization Using Nondestructive Evaluation (NDE) Methods, G. Hübschen, I. Altpeter, R. Tschuncky, and H.-G. Herrmann, eds. (Woodhead Publishing), pp. 81-124. 10.1016/B978-0-08-100040-3.00004-3. [28] Meisburger, S.P., Case, D.A., and Ando, N. (2023). Robust total X-ray scattering workflow to study correlated motion of proteins in crystals. Nat. Commun. 14 (1). DOI: 10.1038/s41467-023-36734-3. [29] Frenkel, A.I. (2012). Applications of extended X-ray absorption fine-structure spectroscopy to studies of bimetallic nanoparticle catalysts. Chem. Soc. Rev. 41 (24). DOI: 10.1039/c2cs35174a. [30] Zhou, Y., Chen, L., Wang, Y., et al. (2023). ANi(5)Bi(5.6+delta) (A = K, Rb, and Cs): Quasi-One-Dimensional Metals Featuring [Ni(5)Bi(5.6+delta)](-) Double-Walled Column with Strong Diamagnetism. Inorg. Chem. 62 (9):3788-3798. DOI: 10.1021/acs.inorgchem.2c03870. [31] Hu, L., Zhu, J., Duan, C., et al. (2023). Revealing the Pnma crystal structure and ion-transport mechanism of the Li3YCl6 solid electrolyte. Cell Rep. Phys. Sci. 4(6): 101428. DOI: 10.1016/j.xcrp.2023.101428. [32] Ren, Q., Gupta, M.K., Jin, M., et al. (2023). Extreme phonon anharmonicity underpins superionic diffusion and ultralow thermal conductivity in argyrodite Ag8SnSe6. Nat. Mater. 22: 999−1006. DOI: 10.1038/s41563-023-01560-x. [33] Li, B., Wang, H., Kawakita, Y., et al. (2018). Liquid-like thermal conduction in intercalated layered crystalline solids. Nat. Mater. 17(3): 226−230. DOI: 10.1038/s41563-017-0004-2. [34] de Groot, F.M.F., Haverkort, M.W., Elnaggar, H., et al. (2024). Resonant inelastic X-ray scattering. Nat. Rev. Methods Primers 4(1): 45. DOI: 10.1038/s43586-024-00322-6. [35] Das, R.S., and Agrawal, Y.K. (2011). Raman spectroscopy: Recent advancements, techniques and applications. Vib. Spectrosc. 57(2): 163−176. DOI: 10.1016/j.vibspec.2011.08.003. [36] Bramwell, S.T., and Keimer, B. (2014). Neutron scattering from quantum condensed matter. Nat. Mater. 13(8): 763−767. DOI: 10.1038/nmat4045. [37] Cahill, D.G., Ford, W.K., Goodson, K.E., et al. (2003). Nanoscale thermal transport. J. Appl. Phys. 93(2): 793−818. DOI: 10.1063/1.1524305. [38] Siegrist, T., Merkelbach, P., and Wuttig, M. (2012). Phase Change Materials: Challenges on the Path to a Universal Storage Device. Annu. Rev. Condens. Matter Phys. 3(1): 215−237. DOI: 10.1146/annurev-conmatphys-020911-125105. [39] Du, X., Li, J., Niu, G., et al. (2021). Lead halide perovskite for efficient optoacoustic conversion and application toward high-resolution ultrasound imaging. Nat. Commun. 12(1): 3348. DOI: 10.1038/s41467-021-23788-4. [40] Padture, N.P., Gell, M., and Jordan, E.H. (2002). Thermal Barrier Coatings for Gas-Turbine Engine Applications. Science 296(5566): 280−284. DOI: 10.1126/science.1068609. [41] Yang, X., Zheng, X., Liu, Q., et al. (2020). Experimental Study on Thermal Conductivity and Rectification in Suspended Monolayer MoS2. ACS Appl. Mater. Interfaces 12(25): 28306−28312. DOI: 10.1021/acsami.0c07544. [42] Li, B., Wang, L., and Casati, G. (2006). Negative differential thermal resistance and thermal transistor. Appl. Phys. Lett. 88(14): 143501. DOI: 10.1063/1.2191730. [43] Guenneau, S., Amra, C., and Veynante, D. (2012). Transformation thermodynamics: cloaking and concentrating heat flux. Opt. Express 20(7): 8207−8218. DOI: 10.1364/oe.20.008207. [44] Simoncelli, M., Marzari, N., and Mauri, F. (2019). Unified theory of thermal transport in crystals and glasses. Nat. Phys. 15(8): 809−813. DOI: 10.1038/s41567-019-0520-x. [45] Minnich, A.J., Dresselhaus, M.S., Ren, Z.F., and Chen, G. (2009). Bulk nanostructured thermoelectric materials: current research and future prospects. Energy Environ. Sci. 2(5): 466−479. DOI: 10.1039/b822664b. [46] Zhao, M., Pan, W., Wan, C., et al. (2017). Defect engineering in development of low thermal conductivity materials: A review. J. Eur. Ceram. Soc. 37(1): 1−13. DOI: 10.1016/j.jeurceramsoc.2016.07.036. [47] Clarke, D.R. (2003). Materials selection guidelines for low thermal conductivity thermal barrier coatings. Surf. Coat. Technol. 163-164: 67−74. DOI: 10.1016/s0257-8972(02)00593-5. [48] Kurosaki, K., Kosuga, A., Muta, H., et al. (2005). Ag9TlTe5: A high-performance thermoelectric bulk material with extremely low thermal conductivity. Appl. Phys. Lett. 87(6): 8. DOI: 10.1063/1.2009828. [49] Akhmedova, G.A., and Abdinov, D.S. (2009). Effect of thallium doping on the thermal conductivity of PbTe single crystals. Inorg. Mater. 45(8): 854−858. DOI: 10.1134/s0020168509080056. [50] Wu, W., Liu, W., and Yu, F. (2020). Enhancement of thermoelectric performance through synergy of Pb acceptor doping and superstructure modulation for p-type Bi2Te3. In. J. Mater. Sci. Mater. Electron., pp. 1200-1209. 10.1007/s10854-019-02631-z. [51] Bate, R.T., Carter, D.L., and Wrobel, J.S. (1970). Paraelectric Behavior of PbTe. Phys. Rev. Lett. 25(3): 159−162. DOI: 10.1103/PhysRevLett.25.159. [52] Waghmare, U.V., Spaldin, N.A., Kandpal, H.C., and Seshadri, R. (2003). First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb. Phys. Rev. B 67(12): 125111. DOI: 10.1103/PhysRevB.67.125111. [53] Kwei, G.H., Lawson, A.C., Billinge, S.J.L., and Cheong, S.W. (2002). Structures of the ferroelectric phases of barium titanate. J. Phys. Chem. 97(10): 2368−2377. DOI: 10.1021/j100112a043. [54] Zhang, Y., Ke, X., Kent, P.R.C., et al. (2011). Anomalous Lattice Dynamics near the Ferroelectric Instability in PbTe. Phys. Rev. Lett. 107(17): 175503. DOI: 10.1103/PhysRevLett.107.175503. [55] Božin, E.S., Malliakas, C.D., Souvatzis, P., et al. (2010). Entropically Stabilized Local Dipole Formation in Lead Chalcogenides. Science 330(6011): 1660−1663. DOI: 10.1126/science.1192759. [56] Li, C.W., Ma, J., Cao, H.B., et al. (2014). Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics. Phys. Rev. B 90(21): 214303. DOI: 10.1103/PhysRevB.90.214303. [57] Yu, Y., Cagnoni, M., Cojocaru‐Mirédin, O., and Wuttig, M. (2019). Chalcogenide Thermoelectrics Empowered by an Unconventional Bonding Mechanism. Adv. Funct. Mater. 30(8): 1904862. DOI: 10.1002/adfm.201904862. [58] An, J., Subedi, A., and Singh, D.J. (2008). Ab initio phonon dispersions for PbTe. Solid State Commun. 148(9-10): 417−419. DOI: 10.1016/j.ssc.2008.09.027. [59] Zhang, Y., Ke, X., Chen, C., et al. (2009). Thermodynamic properties of PbTe, PbSe, and PbS: First-principles study. Phys. Rev. B 80(2): 024304. DOI: 10.1103/PhysRevB.80.024304. [60] Shiga, T., Shiomi, J., Ma, J., et al. (2012). Microscopic mechanism of low thermal conductivity in lead telluride. Phys. Rev. B 85(15): 155203. DOI: 10.1103/PhysRevB.85.155203. [61] Delaire, O., Ma, J., Marty, K., et al. (2011). Giant anharmonic phonon scattering in PbTe. Nat. Mater. 10(8): 614−619. DOI: 10.1038/nmat3035. [62] Jensen, K.M.Ø., Božin, E.S., Malliakas, C.D., et al. (2012). Lattice dynamics reveals a local symmetry breaking in the emergent dipole phase of PbTe. Phys. Rev. B 86(8): 085313. DOI: 10.1103/PhysRevB.86.085313. [63] Burns, G. (1976). Dirty displacive ferroelectrics. Phys. Rev. B 13(1): 215−226. DOI: 10.1103/PhysRevB.13.215. [64] Ai, X., Chen, Y., and Marianetti, C.A. (2014). Slave mode expansion for obtaining ab initio interatomic potentials. Phys. Rev. B 90(1): 014308. DOI: 10.1103/PhysRevB.90.014308. [65] Chen, Y., Ai, X., and Marianetti, C.A. (2014). First-principles approach to nonlinear lattice dynamics: anomalous spectra in PbTe. Phys. Rev. Lett. 113(10): 105501. DOI: 10.1103/PhysRevLett.113.105501. [66] Li, C.W., Hellman, O., Ma, J., et al. (2014). Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics. Phys. Rev. Lett. 112(17): 175501. DOI: 10.1103/PhysRevLett.112.175501. [67] Kobayashi, K.L.I., Kato, Y., Katayama, Y., and Komatsubara, K.F. (1976). Carrier-Concentration-Dependent Phase Transition in SnTe. Phys. Rev. Lett. 37(12): 772−774. DOI: 10.1103/PhysRevLett.37.772. [68] Pandit, A., Haleoot, R., and Hamad, B. (2021). Thermal conductivity and enhanced thermoelectric performance of SnTe bilayer. J. Mater. Sci. 56(17): 10424−10437. DOI: 10.1007/s10853-021-05926-x. [69] Knox, K.R., Bozin, E.S., Malliakas, C.D., et al. (2014). Local off-centering symmetry breaking in the high-temperature regime of SnTe. Phys. Rev. B 89(1): 014102. DOI: 10.1103/PhysRevB.89.014102. [70] Maradudin, A.A., and Fein, A.E. (1962). Scattering of Neutrons by an Anharmonic Crystal. Phys. Rev. 128(6): 2589−2608. DOI: 10.1103/PhysRev.128.2589. [71] Cowley, R.A. (1968). Anharmonic crystals. Rep. Prog. Phys. 31(1): 123−166. DOI: 10.1088/0034-4885/31/1/303. [72] Maradudin, A.A., Fein, A.E., and Vineyard, G.H. (2006). On the evaluation of phonon widths and shifts. Phys. Status Solidi B 2(11): 1479−1492. DOI: 10.1002/pssb.19620021106. [73] Chattopadhyay, T., Boucherle, J.X., and vonSchnering, H.G. (1987). Neutron diffraction study on the structural phase transition in GeTe. J. Phys. C: Solid State Phys. 20(10): 1431−1440. DOI: 10.1088/0022-3719/20/10/012. [74] Jeong, K., Park, S., Park, D., et al. (2017). Evolution of crystal structures in GeTe during phase transition. Sci. Rep. 7(1): 955. DOI: 10.1038/s41598-017-01154-z. [75] Fons, P., Kolobov, A.V., Krbal, M., et al. (2010). Phase transition in crystalline GeTe: Pitfalls of averaging effects. Phys. Rev. B 82(15): 155209. DOI: 10.1103/PhysRevB.82.155209. [76] Li, J., Zhang, X., Wang, X., et al. (2018). High-Performance GeTe Thermoelectrics in Both Rhombohedral and Cubic Phases. JACS 140(47): 16190−16197. DOI: 10.1021/jacs.8b09147. [77] Zhang, X., Bu, Z., Lin, S., et al. (2020). GeTe Thermoelectrics. Joule 4(5): 986−1003. DOI: 10.1016/j.joule.2020.03.004. [78] Xing, T., Zhu, C., Song, Q., et al. (2021). Ultralow Lattice Thermal Conductivity and Superhigh Thermoelectric Figure-of-Merit in (Mg, Bi) Co-Doped GeTe. Adv. Mater. 33(17): e2008773. DOI: 10.1002/adma.202008773. [79] Wu, D., Zhao, L.-D., Hao, S., et al. (2014). Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi2Te3 Doping. JACS 136(32): 11412−11419. DOI: 10.1021/ja504896a. [80] Liu, Z., Sun, J., Mao, J., et al. (2018). Phase-transition temperature suppression to achieve cubic GeTe and high thermoelectric performance by Bi and Mn codoping. PNAS 115(21): 5332−5337. DOI: 10.1073/pnas.1802020115. [81] Liu, Z., Sato, N., Guo, Q., et al. (2020). Shaping the role of germanium vacancies in germanium telluride: metastable cubic structure stabilization, band structure modification, and stable N-type conduction. NPG Asia Mater. 12(1): 66. DOI: 10.1038/s41427-020-00247-y. [82] Liu, W.D., Wang, D.Z., Liu, Q., et al. (2020). High‐Performance GeTe‐Based Thermoelectrics: from Materials to Devices. Adv. Energy Mater. 10(19): 2000367. DOI: 10.1002/aenm.202000367. [83] Lucovsky, G., and White, R.M. (1973). Effects of Resonance Bonding on the Properties of Crystalline and Amorphous Semiconductors. Phys. Rev. B 8(2): 660−667. DOI: 10.1103/PhysRevB.8.660. [84] Mitrofanov, K.V., Kolobov, A.V., Fons, P., et al. (2014). Ge L3-edge x-ray absorption near-edge structure study of structural changes accompanying conductivity drift in the amorphous phase of Ge2Sb2Te5. J. Appl. Phys. 115 (17). DOI: 10.1063/1.4874415. [85] Polatoglou, H.M., Theodorou, G., and Economou, N.A. (1983). Bonding in cubic and rhombohedral GeTe. J. Phys. C: Solid State Phys. 16(5): 817−827. DOI: 10.1088/0022-3719/16/5/009. [86] Raty, J.Y., Godlevsky, V., Ghosez, P., et al. (2000). Evidence of a Reentrant Peierls Distortion in Liquid GeTe. Phys. Rev. Lett. 85(9): 1950−1953. DOI: 10.1103/PhysRevLett.85.1950. [87] Raty, J.-Y., and Wuttig, M. (2020). The interplay between Peierls distortions and metavalent bonding in IV–VI compounds: comparing GeTe with related monochalcogenides. J. Phys. D: Appl. Phys. 53 (23). DOI: 10.1088/1361-6463/ab7e66. [88] Kimber, S.A.J., Zhang, J., Liang, C.H., et al. (2023). Dynamic crystallography reveals spontaneous anisotropy in cubic GeTe. Nat. Mater. 22(3): 311−315. DOI: 10.1038/s41563-023-01483-7. [89] Wang, C., Wu, J., Zeng, Z., et al. (2021). Soft-mode dynamics in the ferroelectric phase transition of GeTe. npj Comput. Mater. 7(1): 118. DOI: 10.1038/s41524-021-00588-4. [90] Siegrist, T., Jost, P., Volker, H., et al. (2011). Disorder-induced localization in crystalline phase-change materials. Nat. Mater. 10(3): 202−208. DOI: 10.1038/nmat2934. [91] Zhang, W., Thiess, A., Zalden, P., et al. (2012). Role of vacancies in metal–insulator transitions of crystalline phase-change materials. Nat. Mater. 11(11): 952−956. DOI: 10.1038/nmat3456. [92] Matsunaga, T., Fons, P., Kolobov, A.V., et al. (2011). The order-disorder transition in GeTe: Views from different length-scales. Appl. Phys. Lett. 99(23): 231907. DOI: 10.1063/1.3665067. [93] Xu, M., Lei, Z., Yuan, J., et al. (2018). Structural disorder in the high-temperature cubic phase of GeTe. RSC Adv. 8(31): 17435−17442. DOI: 10.1039/c8ra02561d. [94] Chapman, K.W., Lapidus, S.H., and Chupas, P.J. (2015). Applications of principal component analysis to pair distribution function data. J. Appl. Crystallogr. 48(6): 1619−1626. DOI: 10.1107/s1600576715016532. [95] Chatterji, T., Kumar, C.M.N., and Wdowik, U.D. (2015). Anomalous temperature-induced volume contraction in GeTe. Phys. Rev. B 91(5): 054110. DOI: 10.1103/PhysRevB.91.054110. [96] Wang, T., Zhang, C., Yang, J.-Y., and Liu, L. (2021). Engineering the electronic band structure and thermoelectric performance of GeTe via lattice structure manipulation from first-principles. PCCP 23(41): 23576−23585. DOI: 10.1039/d1cp03728e. [97] Miyata, K., and Zhu, X.Y. (2018). Ferroelectric large polarons. Nat. Mater. 17(5): 379−381. DOI: 10.1038/s41563-018-0068-7. [98] Kadlec, F., Kadlec, C., Kužel, P., and Petzelt, J. (2011). Study of the ferroelectric phase transition in germanium telluride using time-domain terahertz spectroscopy. Phys. Rev. B 84(20): 205209. DOI: 10.1103/PhysRevB.84.205209. [99] Polking, M.J., Urban, J.J., Milliron, D.J., et al. (2011). Size-Dependent Polar Ordering in Colloidal GeTe Nanocrystals. Nano Lett. 11(3): 1147−1152. DOI: 10.1021/nl104075v. [100] Chatterji, T., Rols, S., and Wdowik, U.D. (2018). Dynamics of the phase-change material GeTe across the structural phase transition. Front. Phys. 14(2): 23601. DOI: 10.1007/s11467-018-0864-1. [101] Guin, S.N., Chatterjee, A., Negi, D.S., et al. (2013). High thermoelectric performance in tellurium free p-type AgSbSe2. Energy Environ. Sci. 6(9): 2603−2608. DOI: 10.1039/c3ee41935e. [102] Morelli, D.T., Jovovic, V., and Heremans, J.P. (2008). Intrinsically minimal thermal conductivity in cubic I-V-VI2 semiconductors. Phys. Rev. Lett. 101(3): 035901. DOI: 10.1103/PhysRevLett.101.035901. [103] Nielsen, M.D., Ozolins, V., and Heremans, J.P. (2013). Lone pair electrons minimize lattice thermal conductivity. Energy Environ. Sci. 6(2): 570−578. DOI: 10.1039/c2ee23391f. [104] Berri, S., Maouche, D., and Medkour, Y. (2012). Ab initio study of the structural, electronic and elastic properties of AgSbTe2, AgSbSe2, Pr3AlC, Ce3AlC, Ce3AlN, La3AlC and La3AlN compounds. Physica B 407(17): 3320−3327. DOI: 10.1016/j.physb.2012.04.011. [105] Sugar, J.D., and Medlin, D.L. (2009). Precipitation of Ag2Te in the thermoelectric material AgSbTe2. J. Alloys Compd. 478(1-2): 75−82. DOI: 10.1016/j.jallcom.2008.11.054. [106] Wolfe, R., Wernick, J.H., and Haszko, S.E. (1960). Anomalous Hall Effect in AgSbTe2. J. Appl. Phys. 31(11): 1959−1964. DOI: 10.1063/1.1735479. [107] Ma, J., Delaire, O., May, A.F., et al. (2013). Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2. Nat. Nanotechnol. 8(6): 445−451. DOI: 10.1038/nnano.2013.95. [108] Barabash, S.V., and Ozolins, V. (2010). Order, miscibility, and electronic structure of Ag(Bi,Sb)Te2 alloys and (Ag,Bi,Sb)Te precipitates in rocksalt matrix: A first-principles study. Phys. Rev. B 81(7): 075212. DOI: 10.1103/PhysRevB.81.075212. [109] Barabash, S.V., Ozolins, V., and Wolverton, C. (2008). First-Principles Theory of Competing Order Types, Phase Separation, and Phonon Spectra in Thermoelectric AgPbmSbTem+2 Alloys. Phys. Rev. Lett. 101(15): 155704. DOI: 10.1103/PhysRevLett.101.155704. [110] Hoang, K., Mahanti, S.D., Salvador, J.R., and Kanatzidis, M.G. (2007). Atomic Ordering and Gap Formation in Ag-Sb-Based Ternary Chalcogenides. Phys. Rev. Lett. 99(15): 156403. DOI: 10.1103/PhysRevLett.99.156403. [111] Ma, J., Delaire, O., Specht, E.D., et al. (2014). Phonon scattering rates and atomic ordering in Ag1−xSb1+xTe2+x(x=0,0.1,0.2) investigated with inelastic neutron scattering and synchrotron diffraction. Phys. Rev. B 90 (13):134303 DOI: 10.1103/PhysRevB.90.134303. [112] Graf, T., Felser, C., and Parkin, S.S.P. (2011). Simple rules for the understanding of Heusler compounds. Prog. Solid State Chem. 39(1): 1−50. DOI: 10.1016/j.progsolidstchem.2011.02.001. [113] Zeier, W.G., Schmitt, J., Hautier, G., et al. (2016). Engineering half-Heusler thermoelectric materials using Zintl chemistry. Nat. Rev. Mater. 1(6): 16032. DOI: 10.1038/natrevmats.2016.32. [114] Xie, H., Wang, H., Pei, Y., et al. (2013). Beneficial Contribution of Alloy Disorder to Electron and Phonon Transport in Half‐Heusler Thermoelectric Materials. Adv. Funct. Mater. 23(41): 5123−5130. DOI: 10.1002/adfm.201300663. [115] Fu, C., Zhu, T., Liu, Y., et al. (2015). Band engineering of high performance p-type FeNbSb based half-Heusler thermoelectric materials for figure of merit zT > 1. Energy Environ. Sci. 8(1): 216−220. DOI: 10.1039/c4ee03042g. [116] Xie, W., Weidenkaff, A., Tang, X., et al. (2012). Recent Advances in Nanostructured Thermoelectric Half-Heusler Compounds. Nanomaterials 2(4): 379−412. DOI: 10.3390/nano2040379. [117] Liu, Y., Sahoo, P., Makongo, J.P.A., et al. (2013). Large Enhancements of Thermopower and Carrier Mobility in Quantum Dot Engineered Bulk Semiconductors. JACS 135(20): 7486−7495. DOI: 10.1021/ja311059m. [118] Anand, S., Xia, K., I. Hegde, V., et al. (2018). A valence balanced rule for discovery of 18-electron half-Heuslers with defects. Energy Environ. Sci. 11(6): 1480−1488. DOI: 10.1039/C8EE00306H. [119] Zeier, W.G., Anand, S., Huang, L., et al. (2017). Using the 18-Electron Rule To Understand the Nominal 19-Electron Half-Heusler NbCoSb with Nb Vacancies. Chem. Mater. 29(3): 1210−1217. DOI: 10.1021/acs.chemmater.6b04583. [120] Xia, K., Nan, P., Tan, S., et al. (2019). Short-range order in defective half-Heusler thermoelectric crystals. Energy Environ. Sci. 12(5): 1568−1574. DOI: 10.1039/c8ee03654c. [121] Xia, K., Liu, Y., Anand, S., et al. (2018). Enhanced Thermoelectric Performance in 18‐Electron Nb0.8CoSb Half‐Heusler Compound with Intrinsic Nb Vacancies. Adv. Funct. Mater. 28 (9):1705845. DOI: 10.1002/adfm.201705845. [122] Rausch, E., Castegnaro, M.V., Bernardi, F., et al. (2016). Short and long range order of Half-Heusler phases in (Ti,Zr,Hf)CoSb thermoelectric compounds. Acta Mater. 115: 308−313. DOI: 10.1016/j.actamat.2016.05.041. [123] Ren, W., Xue, W., Guo, S., et al. (2023). Vacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBi. Nat. Commun. 14(1): 4722. DOI: 10.1038/s41467-023-40492-7. [124] Sakurada, S., and Shutoh, N. (2005). Effect of Ti substitution on the thermoelectric properties of (Zr,Hf)NiSn half-Heusler compounds. Appl. Phys. Lett. 86(8): 082105. DOI: 10.1063/1.1868063. [125] Yang, J., Li, H., Wu, T., et al. (2008). Evaluation of Half‐Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties. Adv. Funct. Mater. 18(19): 2880−2888. DOI: 10.1002/adfm.200701369. [126] Li, Z., Xue, W., Han, S., et al. (2023). Ni atomic disorder in ZrNiSn revealed by scanning transmission electron microscopy. Mater. Today Phys. 34: 101072. DOI: 10.1016/j.mtphys.2023.101072. [127] Sekimoto, T., Kurosaki, K., Muta, H., and Yamanaka, S. (2007). High-Thermoelectric Figure of Merit Realized in p-Type Half-Heusler Compounds: ZrCoSnxSb1-x. Jpn. J. Appl. Phys. 46(27): 673−675. DOI: 10.1143/jjap.46.L673. [128] Fu, C.G., Bai, S.Q., Liu, Y.T., et al. (2015). Realizing high figure of merit in heavy-band -type half-Heusler thermoelectric materials. Nat. Commun. 6: 8144. DOI: ARTN 8144 10.1038/ncomms9144. DOI: 10.1038/ncomms9144. [129] Uher, C., Yang, J., Hu, S., et al. (1999). Transport properties of pure and dopedMNiSn (M=Zr, Hf). Phys. Rev. B 59(13): 8615−8621. DOI: 10.1103/PhysRevB.59.8615. [130] Yan, X., Liu, W., Wang, H., et al. (2012). Stronger phonon scattering by larger differences in atomic mass and size in p-type half-Heuslers Hf1−xTixCoSb0.8Sn0.2. Energy Environ. Sci. 5 (6). DOI: 10.1039/c2ee21554c. [131] Ren, Q., Fu, C., Qiu, Q., et al. (2020). Establishing the carrier scattering phase diagram for ZrNiSn-based half-Heusler thermoelectric materials. Nat. Commun. 11(1): 3142. DOI: 10.1038/s41467-020-16913-2. [132] Caillat, T., Borshchevsky, A., and Fleurial, J.P. (1996). Properties of single crystalline semiconducting CoSb3. J. Appl. Phys. 80(8): 4442−4449. DOI: 10.1063/1.363405. [133] Zawadzki, W. (1974). Electron transport phenomena in small-gap semiconductors. Adv. Phys. 23(3): 435−522. DOI: 10.1080/00018737400101371. [134] Ahn, D. (1991). Theory of polar-optical-phonon scattering in a semiconductor quantum wire. J. Appl. Phys. 69(6): 3596−3600. DOI: 10.1063/1.348504. [135] Kohn, W. (1959). Image of the Fermi Surface in the Vibration Spectrum of a Metal. Phys. Rev. Lett. 2(9): 393−394. DOI: 10.1103/PhysRevLett.2.393. [136] Han, S., Dai, S.N., Ma, J., et al. (2023). Strong phonon softening and avoided crossing in aliovalence-doped heavy-band thermoelectrics. Nat. Phys. 19(11): 1649−1657. DOI: 10.1038/s41567-023-02188-z. [137] Christensen, M., Abrahamsen, A.B., Christensen, N.B., et al. (2008). Avoided crossing of rattler modes in thermoelectric materials. Nat. Mater. 7(10): 811−815. DOI: 10.1038/nmat2273. [138] Qi, J., Dong, B., Zhang, Z., et al. (2020). Dimer rattling mode induced low thermal conductivity in an excellent acoustic conductor. Nat. Commun. 11(1): 5197. DOI: 10.1038/s41467-020-19044-w. [139] Dutta, M., Samanta, M., Ghosh, T., et al. (2021). Evidence of Highly Anharmonic Soft Lattice Vibrations in a Zintl Rattler. Angew Chem. Int. Ed. Engl. 60(8): 4259−4265. DOI: 10.1002/anie.202013923. [140] Liu, P.-F., Li, X., Li, J., et al. (2024). Strong low-energy rattling modes enabled liquid-like ultralow thermal conductivity in a well-ordered solid. Nation. Sci. Rev. 11(12): nwae216 . DOI: 10.1093/nsr/nwae216. [141] Lai, W., Wang, Y., Morelli, D.T., and Lu, X. (2015). From Bonding Asymmetry to Anharmonic Rattling in Cu12Sb4S13Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely. Adv. Funct. Mater. 25(24): 3648−3657. DOI: 10.1002/adfm.201500766. [142] Qiu, W., Xi, L., Wei, P., et al. (2014). Part-crystalline part-liquid state and rattling-like thermal damping in materials with chemical-bond hierarchy. PNAS 111(42): 15031−15035. DOI: 10.1073/pnas.1410349111. [143] Schnering, H.G.v., and Wiedemeier, H. (1981). The high temperature structure of ß-SnS and ß-SnSe and the B16-to-B33 type λ-transition path. Z. Krist.-Cryst. Mater. 156(1-4): 143−150. DOI. DOI: 10.1524/zkri.1981.156.14.143. [144] Chattopadhyay, T., Werner, A., von Schnering, H.G., and Pannetier, J. (1984). Temperature and pressure induced phase transition in IV-VI compounds. Rev. Phys. Appl. 19(9): 807−813. DOI: 10.1051/rphysap:01984001909080700. [145] Chattopadhyay, T., Pannetier, J., and Von Schnering, H.G. (1986). Neutron diffraction study of the structural phase transition in SnS and SnSe. J. Phys. Chem. Solids 47(9): 879−885. DOI: 10.1016/0022-3697(86)90059-4. [146] Yang, S., Liu, Y., Wu, M., et al. (2017). Highly-anisotropic optical and electrical properties in layered SnSe. Nano Res. 11(1): 554−564. DOI: 10.1007/s12274-017-1712-2. [147] Yan, Y., Abbas, G., Li, F., et al. (2022). Self‐Driven High Performance Broadband Photodetector Based on SnSe/InSe van der Waals Heterojunction. Adv. Mater. Interfaces 9(12): 2102068. DOI: 10.1002/admi.202102068. [148] Zhao, L.-D., Lo, S.-H., Zhang, Y., et al. (2014). Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals. Nature 508(7496): 373−377. DOI: 10.1038/nature13184. [149] Zhao, L.-D., Tan, G., Hao, S., et al. (2016). Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe. Science 351(6269): 141−144. DOI: 10.1126/science.aad3749. [150] Chang, C., Wu, M., He, D., et al. (2018). 3D charge and 2D phonon transports leading to high out-of-plane ZT in n-type SnSe crystals. Science 360(6390): 778−783. DOI: 10.1126/science.aaq1479. [151] Vasudevan, R., Zhang, L., Ren, Q., et al. (2022). Secondary phase effect on the thermoelectricity by doping Ag in SnSe. J. Alloys Compd. 923: 166251. DOI: 10.1016/j.jallcom.2022.166251. [152] Chen, C.-L., Wang, H., Chen, Y.-Y., et al. (2014). Thermoelectric properties of p-type polycrystalline SnSe doped with Ag. J. Mater. Chem. A 2(29): 11171−11176. DOI: 10.1039/c4ta01643b. [153] Jiang, B., Neu, J., Olds, D., et al. (2023). The curious case of the structural phase transition in SnSe insights from neutron total scattering. Nat. Commun. 14 (1). DOI: 10.1038/s41467-023-38454-0. [154] Hong, J., and Delaire, O. (2019). Phase transition and anharmonicity in SnSe. Mater. Today Phys. 10: 100093. DOI: 10.1016/j.mtphys.2019.100093. [155] Li, C.W., Hong, J., May, A.F., et al. (2015). Orbitally driven giant phonon anharmonicity in SnSe. Nat. Phys. 11(12): 1063−1069. DOI: 10.1038/nphys3492. [156] Xiao, Y., Chang, C., Pei, Y., et al. (2016). Origin of low thermal conductivity in SnSe. Phys. Rev. B 94(12): 125203. DOI: 10.1103/PhysRevB.94.125203. [157] Scott, J.F. (1974). Soft-mode spectroscopy: Experimental studies of structural phase transitions. Rev. Mod. Phys. 46(1): 83−128. DOI: 10.1103/RevModPhys.46.83. [158] Cochran, W. (1959). Crystal Stability and the Theory of Ferroelectricity. Phys. Rev. Lett. 3(9): 412−414. DOI: 10.1103/PhysRevLett.3.412. [159] Pawley, G.S., Cochran, W., Cowley, R.A., and Dolling, G. (1966). Diatomic Ferroelectrics. Phys. Rev. Lett. 17(14): 753−755. DOI: 10.1103/PhysRevLett.17.753. [160] Carrete, J., Mingo, N., and Curtarolo, S. (2014). Low thermal conductivity and triaxial phononic anisotropy of SnSe. Appl. Phys. Lett. 105(10): 101907. DOI: 10.1063/1.4895770. [161] Lanigan-Atkins, T., Yang, S., Niedziela, J.L., et al. (2020). Extended anharmonic collapse of phonon dispersions in SnS and SnSe. Nat. Commun. 11(1): 4430. DOI: 10.1038/s41467-020-18121-4. [162] Liu, H., Shi, X., Xu, F., et al. (2012). Copper ion liquid-like thermoelectrics. Nat. Mater. 11(5): 422−425. DOI: 10.1038/nmat3273. [163] Ohno, S., and Okada, T. (2002). Electrical properties of liquid Au-Si alloys. J. Non-Cryst. Solids 312-14: 376−379. DOI: Pii S0022-3093(02)01756-8 Doi 10.1016/S0022-3093(02)01756-8. [164] Niedziela, J.L., Bansal, D., May, A.F., et al. (2018). Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe2. Nat. Phys. 15(1): 73−78. DOI: 10.1038/s41567-018-0298-2. [165] Ding, J., Niedziela, J.L., Bansal, D., et al. (2020). Anharmonic lattice dynamics and superionic transition in AgCrSe2. PNAS 117(8): 3930−3937. DOI: 10.1073/pnas.1913916117. [166] Voneshen, D.J., Walker, H.C., Refson, K., and Goff, J.P. (2017). Hopping Time Scales and the Phonon-Liquid Electron-Crystal Picture in Thermoelectric Copper Selenide. Phys. Rev. Lett. 118(14): 145901. DOI: 10.1103/PhysRevLett.118.145901. [167] Jin, M., Lin, S., Li, W., et al. (2019). Fabrication and Thermoelectric Properties of Single-Crystal Argyrodite Ag8SnSe6. Chem. Mater. 31(7): 2603−2610. DOI: 10.1021/acs.chemmater.9b00393. [168] Shen, X., Xia, Y., Yang, C.C., et al. (2020). High Thermoelectric Performance in Sulfide‐Type Argyrodites Compound Ag8Sn(S1−xSex)6 Enabled by Ultralow Lattice Thermal Conductivity and Extended Cubic Phase Regime. Adv. Funct. Mater. 30(21): 2000526. DOI: 10.1002/adfm.202000526. [169] Zhang, Z., and Nazar, L.F. (2022). Exploiting the paddle-wheel mechanism for the design of fast ion conductors. Nat. Rev. Mater. 7(5): 389−405. DOI: 10.1038/s41578-021-00401-0. [170] Gupta, M.K., Ding, J., Osti, N.C., et al. (2021). Fast Na diffusion and anharmonic phonon dynamics in superionic Na3PS4. Energy Environ. Sci. 14(12): 6554−6563. DOI: 10.1039/d1ee01509e. [171] Zhao, K., Qiu, P., Shi, X., and Chen, L. (2019). Recent Advances in Liquid‐Like Thermoelectric Materials. Adv. Funct. Mater. 30(8): 1903867. DOI: 10.1002/adfm.201903867. [172] Sales, B.C., Mandrus, D., and Williams, R.K. (1996). Filled Skutterudite Antimonides: A New Class of Thermoelectric Materials. Science 272(5266): 1325−1328. DOI: 10.1126/science.272.5266.1325. [173] Li, W., Lin, S., Weiss, M., et al. (2018). Crystal Structure Induced Ultralow Lattice Thermal Conductivity in Thermoelectric Ag9AlSe6. Adv. Energy Mater. 8(18): 1800030. DOI: 10.1002/aenm.201800030. [174] Jin, Z., Xiong, Y., Zhao, K., et al. (2021). Abnormal thermal conduction in argyrodite-type Ag9FeS6-Te materials. Mater. Today Phys. 19: 100410. DOI: 10.1016/j.mtphys.2021.100410. [175] Nesper, R. (2014). The Zintl-Klemm Concept - A Historical Survey. Z. Anorg. Allg. Chem. 640(14): 2639−2648. DOI: 10.1002/zaac.201400403. [176] Kauzlarich, S.M., Brown, S.R., and Snyder, G.J. (2007). Zintl phases for thermoelectric devices. Dalton Trans. 21(21): 2099−2107. DOI: 10.1039/b702266b. [177] Bhardwaj, A., Chauhan, N.S., and Misra, D.K. (2015). Significantly enhanced thermoelectric figure of merit of p-type Mg3Sb2-based Zintl phase compounds via nanostructuring and employing high energy mechanical milling coupled with spark plasma sintering. J. Mater. Chem. A 3(20): 10777−10786. DOI: 10.1039/c5ta02155c. [178] Peng, W., Petretto, G., Rignanese, G.-M., et al. (2018). An Unlikely Route to Low Lattice Thermal Conductivity: Small Atoms in a Simple Layered Structure. Joule 2(9): 1879−1893. DOI: 10.1016/j.joule.2018.06.014. [179] Zhang, J., Song, L., and Iversen, B.B. (2019). Insights into the design of thermoelectric Mg3Sb2 and its analogs by combining theory and experiment. npj Comput. Mater. 5(1): 76. DOI: 10.1038/s41524-019-0215-y. [180] Zhang, J., Song, L., Sist, M., et al. (2018). Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg(3)Sb(2) and related materials. Nat. Commun. 9(1): 4716. DOI: 10.1038/s41467-018-06980-x. [181] Ding, J., Lanigan-Atkins, T., Calderón-Cueva, M., et al. (2021). Soft anharmonic phonons and ultralow thermal conductivity in Mg3(Sb, Bi)2 thermoelectrics. Sci. Adv. 7(21): eabg1449. DOI. DOI: 10.1126/sciadv.abg1449. [182] Wang, C., Wang, Q., Zhang, Q., et al. (2022). Intrinsic Zn Vacancies-Induced Wavelike Tunneling of Phonons and Ultralow Lattice Thermal Conductivity in Zintl Phase Sr2ZnSb2. Chem. Mater. 34(17): 7837−7844. DOI: 10.1021/acs.chemmater.2c01430. [183] Chen, C., Xue, W., Li, S., et al. (2019). Zintl-phase Eu2ZnSb2: A promising thermoelectric material with ultralow thermal conductivity. PNAS 116(8): 2831−2836. DOI: 10.1073/pnas.1819157116. [184] Yao, H., Chen, C., Xue, W., et al. (2021). Vacancy ordering induced topological electronic transition in bulk Eu2ZnSb2. Sci. Adv. 7(6): eabd6162. DOI. DOI: 10.1126/sciadv.abd6162. [185] Chen, C., Feng, Z., Yao, H., et al. (2021). Intrinsic nanostructure induced ultralow thermal conductivity yields enhanced thermoelectric performance in Zintl phase Eu2ZnSb2. Nat. Commun. 12(1): 5718. DOI: 10.1038/s41467-021-25483-w. [186] Chanakian, S., Peng, W., Meschke, V., et al. (2023). Investigating the Role of Vacancies on the Thermoelectric Properties of EuCuSb-Eu2ZnSb2 Alloys. Angew Chem. Int. Ed. Engl. 62(29): e202301176. DOI: 10.1002/anie.202301176. [187] Zhu, J., Ren, Q., Chen, C., et al. (2024). Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics. Nat. Commun. 15(1): 2618. DOI: 10.1038/s41467-024-46895-4. [188] Lubchenko, V., and Wolynes, P.G. (2003). The origin of the boson peak and thermal conductivity plateau in low-temperature glasses. PNAS 100(4): 1515−1518. DOI: 10.1073/pnas.252786999. [189] LaLonde, A.D., Pei, Y., Wang, H., and Jeffrey Snyder, G. (2011). Lead telluride alloy thermoelectrics. Mater. Today 14(11): 526−532. DOI: 10.1016/s1369-7021(11)70278-4. [190] Wei, T.-R., Wu, C.-F., Li, F., and Li, J.-F. (2018). Low-cost and environmentally benign selenides as promising thermoelectric materials. J. Materiomics 4(4): 304−320. DOI: 10.1016/j.jmat.2018.07.001. [191] Rogl, G., and Rogl, P. (2017). Skutterudites, a most promising group of thermoelectric materials. Curr. Opin. Green Sustainable Chem. 4: 50−57. DOI: 10.1016/j.cogsc.2017.02.006. [192] Christensen, M., Johnsen, S., and Iversen, B.B. (2010). Thermoelectric clathrates of type I. Dalton Trans. 39(4): 978−992. DOI: 10.1039/b916400f. [193] Shuai, J., Mao, J., Song, S., et al. (2017). Recent progress and future challenges on thermoelectric Zintl materials. Mater. Today Phys. 1: 74−95. DOI: 10.1016/j.mtphys.2017.06.003. [194] Chen, M., Wu, J., Huang, Q., et al. (2021). The Transport Properties of Quasi–One-Dimensional Ba3Co2O6(CO3)0.7. Front. Phys. 9 :785801. DOI: 10.3389/fphy.2021.785801. [195] Yin, Y., Tudu, B., and Tiwari, A. (2017). Recent advances in oxide thermoelectric materials and modules. Vacuum 146: 356−374. DOI: 10.1016/j.vacuum.2017.04.015. [196] Liu, W.D., Chen, Z.G., and Zou, J. (2018). Eco‐Friendly Higher Manganese Silicide Thermoelectric Materials: Progress and Future Challenges. Adv. Energy Mater. 8(19): 1800056. DOI: 10.1002/aenm.201800056. [197] Zhang, Y., He, X., Chen, Z., et al. (2019). Unsupervised discovery of solid-state lithium ion conductors. Nat. Commun. 10(1): 5260. DOI: 10.1038/s41467-019-13214-1. [198] He, X., Bai, Q., Liu, Y., et al. (2019). Crystal Structural Framework of Lithium Super‐Ionic Conductors. Adv. Energy Mater. 9(43): 1902078. DOI: 10.1002/aenm.201902078. [199] Xie, L., Yin, L., Yu, Y., et al. (2023). Screening strategy for developing thermoelectric interface materials. Science 382(6673): 921−928. DOI: 10.1126/science.adg8392. [200] Jia, T., Feng, Z., Guo, S., et al. (2020). Screening Promising Thermoelectric Materials in Binary Chalcogenides through High-Throughput Computations. ACS Appl. Mater. Interfaces 12(10): 11852−11864. DOI: 10.1021/acsami.9b23297. [201] Chen, X.-Q., Liu, J., and Li, J. (2021). Topological phononic materials: Computation and data. The Innovation 2(3): 100134. DOI: 10.1016/j.xinn.2021.100134. [202] Tokura, Y. (2003). Correlated-Electron Physics in Transition-Metal Oxides. Phys. Today 56(7): 50−55. DOI: 10.1063/1.1603080. [203] Imada, M., Fujimori, A., and Tokura, Y. (1998). Metal-insulator transitions. Rev. Mod. Phys. 70(4): 1039−1263. DOI: 10.1103/RevModPhys.70.1039. [204] Wu, F., MacDonald, A.H., and Martin, I. (2018). Theory of Phonon-Mediated Superconductivity in Twisted Bilayer Graphene. Phys. Rev. Lett. 121(25): 257001. DOI: 10.1103/PhysRevLett.121.257001. [205] Gu, Q., and Wen, H.-H. (2022). Superconductivity in nickel-based 112 systems. The Innovation 3(1): 100202. DOI: 10.1016/j.xinn.2021.100202. [206] Bansal, D., Hong, J., Li, C.W., et al. (2016). Phonon anharmonicity and negative thermal expansion in SnSe. Phys. Rev. B 94(5): 054307. DOI: 10.1103/PhysRevB.94.054307. [207] Lin, Y., Wang, J., Dai, W., et al. (2024). A full solid-state conceptual magnetocaloric refrigerator based on hybrid regeneration. The Innovation 5(4): 100645. DOI: 10.1016/j.xinn.2024.100645. [208] Yadav, K., Kaur, G., Sharma, M.K., et al. (2020). Magnetocaloric effect and spin-phonon correlations in RFe0.5Cr0.5O3 (R = Er and Yb) compounds. Phys. Lett. A 384 (26):126638. DOI: 10.1016/j.physleta.2020.126638. [209] Wang, P., Ge, J., Li, J., et al. (2021). Intrinsic magnetic topological insulators. The Innovation 2(2): 100098. DOI: 10.1016/j.xinn.2021.100098. [210] Juraschek, D.M., Fechner, M., Balatsky, A.V., et al. (2017). Dynamical multiferroicity. Phys. Rev. Mater. 1(1): 014401. DOI: 10.1103/PhysRevMaterials.1.014401. -
ABOUT THIS ARTICLE
Cite this article:
Zhu J., Shen X., Ding J., et al., (2024). Revealing the phonon properties for thermoelectric materials by neutron scattering. The Innovation Energy 1(4): 100049. https://doi.org/10.59717/j.xinn-energy.2024.100049
Export File
Citation
Zhu J., Shen X., Ding J., et al., (2024). Revealing the phonon properties for thermoelectric materials by neutron scattering. The Innovation Energy 1(4): 100049. https://doi.org/10.59717/j.xinn-energy.2024.100049
Format
Content
DownLoad:
-
Figure 1.
Crystallographic and electronic structures of PbTe
-
Figure 2.
Anomalous features of phonon in PbTe
-
Figure 3.
Phonon dispersions and phonon self-energy of SnTe and PbTe
-
Figure 4.
Structure phase transition and anharmonicity of GeTe
-
Figure 5.
Lattice and lattice dynamics of AgSbTe2
-
Figure 6.
Lattice and lattice dynamics of HH compounds
-
Figure 7.
Phase transition and lattice dynamic of SnSe(S)
-
Figure 8.
Phase transition and lattice dynamics of Ag8SnSe6
-
Figure 9.
Lattice and lattice dynamics of Zintl compounds
Twitter