Rationalizing phonon dispersion for lattice thermal conductivity of solids

被引:152
作者
Chen, Zhiwei [1 ]
Zhang, Xinyue [1 ]
Lin, Siqi [1 ]
Chen, Lidong [2 ]
Pei, Yanzhong [1 ]
机构
[1] Tongji Univ, Sch Mat Sci & Engn, Interdisciplinary Mat Res Ctr, Shanghai 201804, Peoples R China
[2] Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China
基金
中国国家自然科学基金;
关键词
thermoelectric; thermal conductivity; minimal thermal conductivity; phonon dispersion; THERMOELECTRIC-MATERIALS; HEAT-CONDUCTION; PERFORMANCE; ANHARMONICITY;
D O I
10.1093/nsr/nwy097
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Lattice thermal conductivity (kappa(L)) is one of the most fundamental properties of solids. The acoustic-elastic-wave assumption, proposed by Debye (Debye P. Ann Phys 1912; 344: 789-839), has led to linear phonon dispersion being the most common approximation for understanding phonon transport over the past century. Such an assumption does not take into account the effect of a periodic boundary condition on the phonon dispersion, originating from the nature of periodicity on atomic arrangements. Driven by modern demands on the thermal functionality of materials, with kappa(L) ranging from ultra-low to ultra-high, any deviation from the Debye approximation in real materials becomes more and more significant. This work takes into account the periodic boundary condition, and therefore rationalizes the phonon dispersion to be more realistic. This significantly improves the precision for quickly predicting kappa(L) without any fitting parameters, as demonstrated in hundreds of materials, and offers a theoretical basis rationalizing kappa(L) to be lower than the minimum currently accepted based on the Debye dispersion. This work paves the way for designing solids with expected kappa(L) and particularly inspires the advancement of low-kappa(L) materials for thermal energy applications.
引用
收藏
页码:888 / 894
页数:7
相关论文
共 57 条
[1]   Minimum thermal conductivity in the context of diffuson-mediated thermal transport [J].
Agne, Matthias T. ;
Hanus, Riley ;
Snyder, G. Jeffrey .
ENERGY & ENVIRONMENTAL SCIENCE, 2018, 11 (03) :609-616
[2]   Strong, Light, Multifunctional Fibers of Carbon Nanotubes with Ultrahigh Conductivity [J].
Behabtu, Natnael ;
Young, Colin C. ;
Tsentalovich, Dmitri E. ;
Kleinerman, Olga ;
Wang, Xuan ;
Ma, Anson W. K. ;
Bengio, E. Amram ;
ter Waarbeek, Ron F. ;
de Jong, Jorrit J. ;
Hoogerwerf, Ron E. ;
Fairchild, Steven B. ;
Ferguson, John B. ;
Maruyama, Benji ;
Kono, Junichiro ;
Talmon, Yeshayahu ;
Cohen, Yachin ;
Otto, Marcin J. ;
Pasquali, Matteo .
SCIENCE, 2013, 339 (6116) :182-186
[3]   Cooling, heating, generating power, and recovering waste heat with thermoelectric systems [J].
Bell, Lon E. .
SCIENCE, 2008, 321 (5895) :1457-1461
[4]   High-performance bulk thermoelectrics with all-scale hierarchical architectures [J].
Biswas, Kanishka ;
He, Jiaqing ;
Blum, Ivan D. ;
Wu, Chun-I ;
Hogan, Timothy P. ;
Seidman, David N. ;
Dravid, Vinayak P. ;
Kanatzidis, Mercouri G. .
NATURE, 2012, 489 (7416) :414-418
[5]  
Born M, 1912, PHYS Z, V13, P297
[6]   HEAT-FLOW AND LATTICE-VIBRATIONS IN GLASSES [J].
CAHILL, DG ;
POHL, RO .
SOLID STATE COMMUNICATIONS, 1989, 70 (10) :927-930
[7]   MODEL FOR LATTICE THERMAL CONDUCTIVITY AT LOW TEMPERATURES [J].
CALLAWAY, J .
PHYSICAL REVIEW, 1959, 113 (04) :1046-1051
[8]   Lattice Dislocations Enhancing Thermoelectric PbTe in Addition to Band Convergence [J].
Chen, Zhiwei ;
Jian, Zhengzhong ;
Li, Wen ;
Chang, Yunjie ;
Ge, Binghui ;
Hanus, Riley ;
Yang, Jiong ;
Chen, Yue ;
Huang, Mingxin ;
Snyder, Gerald Jeffrey ;
Pei, Yanzhong .
ADVANCED MATERIALS, 2017, 29 (23)
[9]   Vacancy-induced dislocations within grains for high-performance PbSe thermoelectrics [J].
Chen, Zhiwei ;
Ge, Binghui ;
Li, Wen ;
Lin, Siqi ;
Shen, Jiawen ;
Chang, Yunjie ;
Hanus, Riley ;
Snyder, G. Jeffrey ;
Pei, Yanzhong .
NATURE COMMUNICATIONS, 2017, 8
[10]   Ultralow thermal conductivity in disordered, layered WSe2 crystals [J].
Chiritescu, Catalin ;
Cahill, David G. ;
Nguyen, Ngoc ;
Johnson, David ;
Bodapati, Arun ;
Keblinski, Pawel ;
Zschack, Paul .
SCIENCE, 2007, 315 (5810) :351-353