Hongyao Xie. The role of off-centering behavior and acoustic-optical phonon coupling in heat transport[J]. Materials Lab, 2023, 2(1): 220051. doi: 10.54227/mlab.20220051
Citation: Hongyao Xie. The role of off-centering behavior and acoustic-optical phonon coupling in heat transport[J]. Materials Lab, 2023, 2(1): 220051. doi: 10.54227/mlab.20220051

PERSPECTIVE

The role of off-centering behavior and acoustic-optical phonon coupling in heat transport

Published as part of the Virtual Special Issue "Mercouri G. Kanatzidis at 65"

More Information
  • Understanding the nature of phonon transport in solids and exploring the way to minimize the thermal conductivity are important in many fields, including the development of efficient thermoelectric materials. For a long time, the contribution of optical phonons to the lattice thermal conductivity is considered to be very small and negligible. Until recent decade, a series of studies have shown that, for some materials with special electronic configuration, optical phonons can dramatically affect the lattice thermal conductivity. Specifically, in these materials, part of their cations would be off-centering from their equilibrium positions and lead to the local distortion of the coordination structure. This off-centering behavior would introduce some low-frequency optical phonons, which can couple with the acoustic phonons and cause additional phonon scattering, thus, it is very effective to suppress the lattice thermal conductivity. This perspective clarifies the lattice dynamics of off-centering behavior and illustrates how this off-centering behavior could lead to the acoustic-optical phonon coupling. This paper also demonstrates the off-centering behavior can be introduced into a material by using the lone pair element doping and the weak sd3 orbital hybridization, and proposes a strategy to design materials with low thermal conductivity based on this.


  • 加载中
  • Hongyao Xie is now a postdoctoral research fellow at Northwestern University, Evanston. He received his Ph.D. degree from Wuhan University of Technology, China, in 2018. His research focuses on the electron and phonon transport behaviors in semiconductor.
  • 1. Q. Yan, M. G. Kanatzidis, Nat. Mater., 2022, 21, 503
    2. Q. Bingchao, Z. Li-Dong, Materials Lab, 2022, 1, 220004
    3. F. Yuting, T. Gangjian, Materials Lab, 2022, 1, 220008
    4. J. He, T. M. Tritt, Science, 2017, 357, eaak9997
    5. W. G. Zeier, A. Zevalkink, Z. M. Gibbs, G. Hautier, M. G. Kanatzidis, G. J. Snyder, Angew. Chem. Int. Ed., 2016, 55, 6826
    6. L. Dongrui, Q. Bingchao, Z. Li-Dong, Materials Lab, 2022, 1, 220006
    7. R. Hanus, M. T. Agne, A. J. E. Rettie, Z. Chen, G. Tan, D. Y. Chung, M. G. Kanatzidis, Y. Pei, P. W. Voorhees, G. J. Snyder, Adv. Mater., 2019, 31, e1900108
    8. Z. Chen, X. Zhang, Y. Pei, Adv. Mater., 2018, 30, e1705617
    9. J. Callaway, H. C. von Baeyer, Phys. Rev., 1960, 120, 1149
    10. B. Poudel, Q. Hao, Y. Ma, Y. Lan, A. Minnich, B. Yu, X. Yan, D. Wang, A. Muto, D. Vashaee, X. Chen, J. Liu, M. S. Dresselhaus, G. Chen, Z. Ren, Science, 2008, 320, 634
    11. Z. Fudong, W. Di, H. Jiaqing, Materials Lab, 2022, 1, 220012
    12. B. Yu, M. Zebarjadi, H. Wang, K. Lukas, H. Wang, D. Wang, C. Opeil, M. Dresselhaus, G. Chen, Z. Ren, Nano Lett., 2012, 12, 2077
    13. H. Xie, X. Su, X. Zhang, S. Hao, T. P. Bailey, C. C. Stoumpos, A. P. Douvalis, X. Hu, C. Wolverton, V. P. Dravid, C. Uher, X. Tang, M. G. Kanatzidis, J. Am. Chem. Soc., 2019, 141, 10905
    14. G. Tan, S. Hao, R. C. Hanus, X. Zhang, S. Anand, T. P. Bailey, A. J. E. Rettie, X. Su, C. Uher, V. P. Dravid, G. J. Snyder, C. Wolverton, M. G. Kanatzidis, ACS Energy Lett., 2018, 3, 705
    15. Y. Xiao, Y. Wu, P. Nan, H. Dong, Z. Chen, Z. Chen, H. Gu, B. Ge, W. Li, Y. Pei, Chem., 2020, 6, 523
    16. M. Hong, T. C. Chasapis, Z. G. Chen, L. Yang, M. G. Kanatzidis, G. J. Snyder, J. Zou, ACS nano, 2016, 10, 4719
    17. C. Fu, S. Bai, Y. Liu, Y. Tang, L. Chen, X. Zhao, T. Zhu, Nat. Commun., 2015, 6, 8144
    18. H. Xie, S. Hao, S. Cai, T. P. Bailey, C. Uher, C. Wolverton, V. P. Dravid, M. G. Kanatzidis, Energy Environ. Sci., 2020, 13, 3693
    19. T. M. Tritt, Thermal conductivity: theory, properties, and applications, Springer Science & Business Media, Germany, 2005.
    20. Z. Li, H. Xie, S. Hao, Y. Xia, X. Su, M. G. Kanatzidis, C. Wolverton, X. Tang, Phys. Rev. B, 2021, 104, 245209
    21. E. S. Božin, C. D. Malliakas, P. Souvatzis, T. Proffen, N. A. Spaldin, M. G. Kanatzidis, S. J. L. Billinge, Science, 2010, 330, 1660
    22. Y. Zhang, X. Ke, P. R. Kent, J. Yang, C. Chen, Phys. Rev. Lett., 2011, 107, 175503
    23. O. Delaire, J. Ma, K. Marty, A. F. May, M. A. McGuire, M. H. Du, D. J. Singh, A. Podlesnyak, G. Ehlers, M. D. Lumsden, B. C. Sales, Nat. Mater., 2011, 10, 614
    24. Z.-Z. Luo, S. Hao, X. Zhang, X. Hua, S. Cai, G. Tan, T. P. Bailey, R. Ma, C. Uher, C. Wolverton, V. P. Dravid, Q. Yan, M. G. Kanatzidis, Energy Environ. Sci., 2018, 11, 3220
    25. S. Cai, S. Hao, Z.-Z. Luo, X. Li, I. Hadar, T. P. Bailey, X. Hu, C. Uher, Y.-Y. Hu, C. Wolverton, V. P. Dravid, M. G. Kanatzidis, Energy Environ. Sci., 2020, 13, 200
    26. K. R. Knox, E. S. Bozin, C. D. Malliakas, M. G. Kanatzidis, S. J. L. Billinge, Phys. Rev. B, 2014, 89, 014102
    27. M. Dutta, M. V. D. Prasad, J. Pandey, A. Soni, U. V. Waghmare, K. Biswas, Angew. Chem. Int. Ed., 2022, 134, e202200071
    28. H. Xie, S. Hao, J. Bao, T. J. Slade, G. J. Snyder, C. Wolverton, M. G. Kanatzidis, J. Am. Chem. Soc., 2020, 142, 9553
    29. H. Xie, E. S. Bozin, Z. Li, M. Abeykoon, S. Banerjee, J. P. Male, G. J. Snyder, C. Wolverton, S. J. L. Billinge, M. G. Kanatzidis, Adv. Mater., 2022, 34, e2202255
    30. H. Xie, S. Hao, T. P. Bailey, S. Cai, Y. Zhang, T. J. Slade, G. J. Snyder, V. P. Dravid, C. Uher, C. Wolverton, M. G. Kanatzidis, J. Am. Chem. Soc., 2021, 143, 5978
    31. H. Xie, Y. Liu, Y. Zhang, S. Hao, Z. Li, M. Cheng, S. Cai, G. J. Snyder, C. Wolverton, C. Uher, V. P. Dravid, M. G. Kanatzidis, J. Am. Chem. Soc., 2022, 144, 9113
    32. H. Xie, X. Su, S. Hao, C. Zhang, Z. Zhang, W. Liu, Y. Yan, C. Wolverton, X. Tang, M. G. Kanatzidis, J. Am. Chem. Soc., 2019, 141, 18900
  • This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

通讯作者: 陈斌, bchen63@163.com
  • 1. 

    沈阳化工大学材料科学与工程学院 沈阳 110142

  1. 本站搜索
  2. 百度学术搜索
  3. 万方数据库搜索
  4. CNKI搜索

Figures(3)

Information

Article Metrics

Article views(2675) PDF downloads(798) Citation(0)

Other Articles By Authors

Article Contents

Catalog

    /

    DownLoad:  Full-Size Img  PowerPoint