journal article·2024-12Open access

Phonon Coherence in Bismuth‐Halide Perovskite Cs3Bi2Br9 With Ultralow Thermal Conductivity

Yongheng Li, Xiang Li, Bin Wei, Juanjuan Liu, Feihao Pan, Hongliang Wang, Peng Cheng, Hongxia Zhang, Daye Xu, Wei Bao, Jinchen Wang, Lijie Hao, Guochu Deng, Guodong Zhang, Jiawang Hong

Advanced Functional Materials· Volume 34· Issue 52

Abstract

Abstract Halide perovskites emerge as promising candidates for thermoelectrics due to their ultralow thermal conductivity. The conventional theory based on the phonon gas model, which treats thermal transport as particle‐like behavior, shows limitations to describe the unusual thermal transport property in some halide perovskites with strong anharmonicity. Here, the significance of phonon coherence effect on thermal transport of bismuth‐halide perovskite Cs3Bi2Br9 is reported by inelastic neutron scattering and simulations including density functional theory and machine‐learning potential based molecular dynamics. This study shows that the restrictive low‐energy acoustic phonons lead to the limited particle‐like thermal conductivity, which seriously underestimates the lattice thermal conductivity of Cs3Bi2Br9. The significant contribution of wave‐like optical phonon modes, driven by the coherence effect, accounts for an additional ≈50% wave‐like thermal conductivity. Besides, the experimental weak temperature dependence of thermal conductivity along z direction (κ ≈T−0.35) is well reproduced by calculation (κ ≈T−0.37) when including phonon coherence. This work highlights the critical role of phonon coherence in Cs3Bi2Br9 and enhances understanding on the unusual thermal transport properties in halide perovskites and other related materials with strong anharmonicity.
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Research context

OpenAlex topics: Advanced Thermoelectric Materials and Devices · Thermal properties of materials · Optical properties and cooling technologies in crystalline materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Aerospace Engineering Beijing Institute of Technology Beijing 100081 P. R. China

State Key Laboratory of Crystal Materials, Institute of Crystal Materials Shandong University Jinan 250100 P. R. China

Henan Key Laboratory of Materials on Deep‐Earth Engineering, School of Materials Science and Engineering Henan PolytechnicUniversity Jiaozuo 454000 P. R. China

Laboratory for Neutron Scattering and Beijing Key Laboratory of Optoelectronic Functional Materials and MicroNano Devices Department of Physics Renmin University of China Beijing 100872 P. R. China

Neutron Scattering Laboratory Department of Nuclear Physics China Institute of Atomic Energy Beijing 102413 P. R. China

Department of Physics City University of Hong Kong Kowloon 999077 China

Center for Neutron Scattering City University of Hong Kong Kowloon 999077 China

Australian Centre for Neutron Scattering Australian Nuclear Science and Technology Organisation Lucas Heights 2234 NSW Australia

Beijing Institute of Technology ZhuhaiBeijing Institute of Technology (BIT) Zhuhai 519088 China

Funding

Innovative Research Group Project of the National Natural Science Foundation of China · Key Technologies Research and Development Program

References (62)

Show source-provided references
1. 10.1021/acs.chemrev.6b0025510.1021/acs.chemrev.6b00255 ↗
2. 10.1038/nmat209010.1038/nmat2090 ↗
3. 10.1002/adma.20220487210.1002/adma.202204872 ↗
4. 10.1021/acsenergylett.1c0201510.1021/acsenergylett.1c02015 ↗
5. 10.1021/acs.jpclett.8b0341910.1021/acs.jpclett.8b03419 ↗
6. 10.1103/PhysRevLett.118.13600110.1103/PhysRevLett.118.136001 ↗
7. 10.1021/jz501210910.1021/jz5012109 ↗
8. 10.1021/jacs.0c0342710.1021/jacs.0c03427 ↗
9. 10.1002/advs.20190338910.1002/advs.201903389 ↗
10. 10.1038/nchem.60910.1038/nchem.609 ↗
11. 10.1002/aenm.20190249610.1002/aenm.201902496 ↗
12. 10.1038/s41566-019-0466-710.1038/s41566-019-0466-7 ↗
13. Li X. · Sci. China Mater. · 2021 · 64 · 10
14. 10.1021/acsami.1c2408610.1021/acsami.1c24086 ↗
15. 10.1103/PhysRevLett.62.64510.1103/PhysRevLett.62.645 ↗
16. 10.34133/2020/458978610.34133/2020/4589786 ↗
17. 10.1103/PhysRevB.106.09431710.1103/PhysRevB.106.094317 ↗
18. 10.1103/PhysRevLett.124.06590110.1103/PhysRevLett.124.065901 ↗
19. 10.1126/science.aar807210.1126/science.aar8072 ↗
20. 10.1038/s41567-019-0520-x10.1038/s41567-019-0520-x ↗
21. 10.1016/j.mtphys.2022.10088110.1016/j.mtphys.2022.100881 ↗
22. 10.1038/s41524-024-01211-y10.1038/s41524-024-01211-y ↗
23. 10.1016/j.mtphys.2022.10089210.1016/j.mtphys.2022.100892 ↗
24. 10.1002/adfm.20230764810.1002/adfm.202307648 ↗
25. Simoncelli M. · Phys. Rev. X · 2022 · 12
26. 10.1103/PhysRevLett.128.01590110.1103/PhysRevLett.128.015901 ↗
27. 10.1021/acs.chemmater.3c0093510.1021/acs.chemmater.3c00935 ↗
28. 10.1038/nmat303510.1038/nmat3035 ↗
29. 10.1038/s41467-019-09921-410.1038/s41467-019-09921-4 ↗
30. 10.1016/j.mtphys.2021.10059910.1016/j.mtphys.2021.100599 ↗
31. 10.1038/nnano.2013.9510.1038/nnano.2013.95 ↗
32. 10.1038/s41563-021-00947-y10.1038/s41563-021-00947-y ↗
33. 10.1073/pnas.181222711510.1073/pnas.1812227115 ↗
34. 10.1103/PRXEnergy.3.01301410.1103/PRXEnergy.3.013014 ↗
35. 10.1103/PhysRevLett.123.15590110.1103/PhysRevLett.123.155901 ↗
36. 10.1021/acs.nanolett.7b0269610.1021/acs.nanolett.7b02696 ↗
37. 10.1557/mrc.2015.6910.1557/mrc.2015.69 ↗
38. 10.1002/anie.20151173710.1002/anie.201511737 ↗
39. 10.1038/nature1983210.1038/nature19832 ↗
40. 10.1103/PhysRevLett.125.04570110.1103/PhysRevLett.125.045701 ↗
41. 10.1103/PhysRevB.105.18430310.1103/PhysRevB.105.184303 ↗
42. 10.1038/s41467-019-13773-310.1038/s41467-019-13773-3 ↗
43. 10.1038/s41467-022-32773-410.1038/s41467-022-32773-4 ↗
44. 10.1016/j.mtphys.2021.10048710.1016/j.mtphys.2021.100487 ↗
45. 10.1063/1.481594510.1063/1.4815945 ↗
46. 10.1103/PhysRevB.96.16120110.1103/PhysRevB.96.161201 ↗
47. 10.1080/1044863090324121710.1080/10448630903241217 ↗
48. 10.1002/adma.20230452310.1002/adma.202304523 ↗
49. 10.1038/sdata.2015.910.1038/sdata.2015.9 ↗
50. 10.1016/S0166-1280(02)00733-910.1016/S0166-1280(02)00733-9 ↗
51. 10.1103/PhysRevLett.100.13640610.1103/PhysRevLett.100.136406 ↗
52. 10.1103/PhysRevB.54.1653310.1103/PhysRevB.54.16533 ↗
53. 10.1103/PhysRevB.95.01430210.1103/PhysRevB.95.014302 ↗
54. 10.1002/adts.20180018410.1002/adts.201800184 ↗
55. 10.1016/j.cpc.2021.10817910.1016/j.cpc.2021.108179 ↗
56. 10.1016/j.cpc.2014.02.01510.1016/j.cpc.2014.02.015 ↗
57. 10.1088/2632-2153/abc9fe10.1088/2632-2153/abc9fe ↗
58. 10.1016/j.cpc.2021.10817110.1016/j.cpc.2021.108171 ↗
59. 10.1103/PhysRevB.105.07530110.1103/PhysRevB.105.075301 ↗
60. 10.1038/nphys349210.1038/nphys3492 ↗
61. 10.1007/s11340-021-00768-910.1007/s11340-021-00768-9 ↗
62. 10.1088/1674-1056/ad362910.1088/1674-1056/ad3629 ↗