Phonon scattering

Phonons can scatter through several mechanisms as they travel through the material. These scattering mechanisms are: Umklapp phonon-phonon scattering, phonon-impurity scattering, phonon-electron scattering, and phonon-boundary scattering. Each scattering mechanism can be characterised by a relaxation rate 1/ which is the inverse of the corresponding relaxation time.

All scattering processes can be taken into account using Matthiessen's rule. Then the combined relaxation time can be written as:

The parameters , , , are due to Umklapp scattering, mass-difference impurity scattering, boundary scattering and phonon-electron scattering, respectively.

Phonon-phonon scattering

For phonon-phonon scattering, effects by normal processes (processes which conserve the phonon wave vector - N processes) are ignored in favor of Umklapp processes (U processes). Since normal processes vary linearly with and umklapp processes vary with , Umklapp scattering dominates at high frequency.[1] is given by:

where is the Gruneisen anharmonicity parameter, μ is the shear modulus, V0 is the volume per atom and is the Debye frequency.[2]

Three-phonon and four-phonon process

Thermal transport in non-metal solids was usually considered to be governed by the three-phonon scattering process,[3] and the role of four-phonon and higher-order scattering processes was believed to be negligible. Recent studies have shown that the four-phonon scattering can be important for nearly all materials at high temperature [4] and for certain materials at room temperature.[5] The predicted significance of four-phonon scattering in boron arsenide was confirmed by experiments.[6]

Mass-difference impurity scattering

Mass-difference impurity scattering is given by:

where is a measure of the impurity scattering strength. Note that is dependent of the dispersion curves.

Boundary scattering

Boundary scattering is particularly important for low-dimensional nanostructures and its relaxation time is given by:

where is the characteristic length of the system and , which is related to the roughness of the surface, represents the fraction of specularly scattered phonons. The parameter is not easily calculated for an arbitrary surface. For a surface characterized by a root-mean-square roughness , a wavelength-dependent value for the parameter can be calculated using

in the case of plane waves at normal incidence.[7] The value corresponds to a perfectly smooth surface such that boundary scattering is purely specular. The relaxation time is in this case infinite, implying that boundary scattering does not contribute to the thermal resistance. Conversely, the value corresponds to a very rough surface, in which case boundary scattering is purely diffusive and the relaxation rate is given by:

This equation is also known as Casimir limit.[8]

Phonon-electron scattering

Phonon-electron scattering can also contribute when the material is heavily doped. The corresponding relaxation time is given as:

The parameter is conduction electrons concentration, ε is deformation potential, ρ is mass density and m* is effective electron mass.[2] It is usually assumed that contribution to thermal conductivity by phonon-electron scattering is negligible.

See also

References

  1. Mingo, N (2003). "Calculation of nanowire thermal conductivity using complete phonon dispersion relations". Physical Review B. 68 (11): 113308. arXiv:cond-mat/0308587. Bibcode:2003PhRvB..68k3308M. doi:10.1103/PhysRevB.68.113308.
  2. Zou, Jie; Balandin, Alexander (2001). "Phonon heat conduction in a semiconductor nanowire" (PDF). Journal of Applied Physics. 89 (5): 2932. Bibcode:2001JAP....89.2932Z. doi:10.1063/1.1345515. Archived from the original (PDF) on 2010-06-18.
  3. Ziman, J.M. (1960). Electrons and Phonons: The Theory of transport phenomena in solids. Oxford Classic Texts in the Physical Sciences. Oxford University Press.
  4. Feng, Tianli; Ruan, Xiulin (2016). "Quantum mechanical prediction of four-phonon scattering rates and reduced thermal conductivity of solids". Physical Review B. 93 (4): 045202. arXiv:1510.00706. Bibcode:2016PhRvB..96p5202F. doi:10.1103/PhysRevB.93.045202.
  5. Feng, Tianli; Lindsay, Lucas; Ruan, Xiulin (2017). "Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids". Physical Review B. 96 (16): 161201. Bibcode:2017PhRvB..96p1201F. doi:10.1103/PhysRevB.96.161201.
  6. Kang, Joon Sang; Li, Man; Wu, Huan; Nguyen, Huuduy; Hu, Yongjie (2018). "Experimental observation of high thermal conductivity in boron arsenide". Science. 361 (6402): 575–578. Bibcode:2018Sci...361..575K. doi:10.1126/science.aat5522. PMID 29976798.
  7. Ziman, John M. (2001). Electrons and Phonons: The Theory of Transport Phenomena in Solids. Oxford University Press. pp. 459. doi:10.1093/acprof:oso/9780198507796.003.0011.
  8. Casimir, H.B.G (1938). "Note on the Conduction of Heat in Crystals". Physica. 5 (6): 495–500. Bibcode:1938Phy.....5..495C. doi:10.1016/S0031-8914(38)80162-2.
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