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.{{Cite journal
| last = Mingo | first = N
| year = 2003
| title = Calculation of nanowire thermal conductivity using complete phonon dispersion relations
| journal = Physical Review B
| volume = 68
| issue = 11
| pages = 113308
| arxiv = cond-mat/0308587
|bibcode = 2003PhRvB..68k3308M |doi = 10.1103/PhysRevB.68.113308 | s2cid = 118984828
| url = https://zenodo.org/record/1233747}} is given by:
:
where is the Gruneisen anharmonicity parameter, {{mvar|μ}} is the shear modulus, {{mvar|V0}} is the volume per atom and is the Debye frequency.{{Cite journal
|last = Zou
|first = Jie
|author2 = Balandin, Alexander
|year = 2001
|title = Phonon heat conduction in a semiconductor nanowire
|journal = Journal of Applied Physics
|volume = 89
|issue = 5
|pages = 2932
|doi = 10.1063/1.1345515
|url = http://www.ndl.ee.ucr.edu/jap-zou-1.pdf
|bibcode = 2001JAP....89.2932Z
|url-status = dead
|archiveurl = https://web.archive.org/web/20100618011126/http://ndl.ee.ucr.edu/jap-zou-1.pdf
|archivedate = 2010-06-18
}}
Three-phonon and four-phonon process
Thermal transport in non-metal solids was usually considered to be governed by the three-phonon scattering process,{{cite book|title=Electrons and Phonons: The Theory of transport phenomena in solids |series=Oxford Classic Texts in the Physical Sciences |publisher=Oxford University Press|year=1960|last1=Ziman|first1=J.M.}} 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 {{cite journal|doi = 10.1103/PhysRevB.93.045202|title = Quantum mechanical prediction of four-phonon scattering rates and reduced thermal conductivity of solids|journal = Physical Review B|volume = 93|issue = 4|pages = 045202|year = 2016|last1 = Feng|first1 = Tianli|last2 = Ruan|first2 = Xiulin|bibcode = |arxiv = 1510.00706| s2cid=16015465 }} and for certain materials at room temperature.{{cite journal|doi = 10.1103/PhysRevB.96.161201|title = Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids|journal = Physical Review B|volume = 96|issue = 16|pages = 161201|year = 2017|last1 = Feng|first1 = Tianli|last2 = Lindsay|first2 = Lucas|last3 = Ruan|first3 = Xiulin|bibcode =2017PhRvB..96p1201F |doi-access = free}} The predicted significance of four-phonon scattering in boron arsenide was confirmed by experiments.
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 rate is given by:
:
where is the characteristic length of the system and 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 can be calculated using
:
where is the angle of incidence.{{cite journal |last1=Jiang |first1=Puqing |last2=Lindsay |first2=Lucas |date=2018 |title=Interfacial phonon scattering and transmission loss in > 1 um thick silicon-on-insulator thin films |journal=Phys. Rev. B |volume=97 |issue=19 |pages=195308 |doi=10.1103/PhysRevB.97.195308|arxiv=1712.05756 |bibcode=2018PhRvB..97s5308J |s2cid=118956593 }} An extra factor of is sometimes erroneously included in the exponent of the above equation.{{cite journal |last1=Maznev |first1=A. |date=2015 |title=Boundary scattering of phonons: Specularity of a randomly rough surface in the small-perturbation limit |journal=Phys. Rev. B |volume=91 |issue=13 |pages=134306 |doi=10.1103/PhysRevB.91.134306|arxiv=1411.1721 |bibcode=2015PhRvB..91m4306M |s2cid=54583870 }} At normal incidence, , perfectly specular scattering (i.e. ) would require an arbitrarily large wavelength, or conversely an arbitrarily small roughness. Purely specular scattering does not introduce a boundary-associated increase in the thermal resistance. In the diffusive limit, however, at the relaxation rate becomes
:
This equation is also known as Casimir limit.{{Cite journal
| last = Casimir | first = H.B.G
| year = 1938
| title = Note on the Conduction of Heat in Crystals
| journal = Physica
| volume = 5
| bibcode = 1938Phy.....5..495C
| issue = 6
| doi = 10.1016/S0031-8914(38)80162-2
| pages = 495–500
}}
These phenomenological equations can in many cases accurately model the thermal conductivity of isotropic nano-structures with characteristic sizes on the order of the phonon mean free path. More detailed calculations are in general required to fully capture the phonon-boundary interaction across all relevant vibrational modes in an arbitrary structure.
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. It is usually assumed that contribution to thermal conductivity by phonon-electron scattering is negligible {{Citation needed|date=May 2022|reason=Questionable, as for instance, in https://www.nature.com/articles/s41467-020-19938-9, it is stated that "(...)the photo-excited carriers can significantly reduce thermal conductivity by more than 30% on a nanosecond timescale. This is a direct experimental verification of the large impact of electron–phonon interactions on the lattice thermal conductivity at room temperature"}}.