Strong effect of electron-phonon interaction on the lattice thermal conductivity in 3C-SiC

Wang, Tianshi; Gui, Zhigang; Janotti, Anderson; Ni, Chaoying; Karandikar, Prashant

doi:10.1103/physrevmaterials.1.034601

Cited by 38 publications

(35 citation statements)

References 31 publications

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“…Silicon carbide (SiC) is one of the most promising alternatives to silicon for high temperature and/or high power devices because of its unique combination of wide band gap 1,2 , high breakdown voltage 1,2 , and high thermal conductivity [3][4][5] . The performance of SiC-based devices has been demonstrated in past decades [6][7][8][9][10][11][12] .…”

Section: Introductionmentioning

confidence: 99%

Phonon-limited carrier mobility and temperature-dependent scattering mechanism of 3C -SiC from first principles

Meng

et al. 2019

Phys. Rev. B

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Electron-phonon coupling is at the core of various regimes of material-based science and technology. Taking 3C-silicon carbide (3C-SiC) as an example, despite its very wide application in high temperature and high power devices, the transport properties of 3C-SiC are not yet fully understood at the microscopic level because of inadequate knowledge in electron-phonon coupling. In this work, with electron-phonon coupling matrix elements calculated from first principles, the phonon limited carrier mobility of 3C-SiC is quantified by solving the Boltzmann transport equation. The calculated mobilities for both holes and electrons are in reasonable agreement with the experimental data. Unlike other polar semiconductors such as GaAs, where the polar-longitudinal-optical-phonon interactions are the dominant scattering mechanism, the mobilities of electrons and holes are dominated by the intravalley longitudinal acoustic (LA) phonon scattering at 300K due to the low occupation number of high-frequency polar longitudinal optical (LO) phonons in 3C-SiC. The dominant scattering mechanism in 3C-SiC varies with temperature. At high temperature (800K), LO phonons govern the scattering instead. The maximum mean free paths of electrons and holes at room temperature are found to be 40 nm and 15 nm, respectively.

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Section: Introductionmentioning

confidence: 99%

Phonon-limited carrier mobility and temperature-dependent scattering mechanism of 3C -SiC from first principles

Meng

et al. 2019

Phys. Rev. B

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“…In Refs. [20][21][22][23] it was assumed that the electron system remains in equilibrium following interaction with the phonons. Here we see the justification for making that assumption.…”

Section: Resultsmentioning

confidence: 99%

“…Note here that, if one assumes that during the e-ph scattering the electrons remain in equilibrium (I ν = 0), then ∆F D,λ = 0. This is the typical approximation used in treating the effect of ph-e scattering on the thermal conductivity [20][21][22][23] . In those works, ph-e scattering was also treated in the RTA, while ph-ph scattering was treated in full.…”

Section: Phonon Response To Temperature Gradientmentioning

confidence: 99%

Coupled transport of phonons and carriers in semiconductors: A case study of n-doped GaAs

Protik,

Broido

2019

Preprint

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We present a general coupled electron-phonon Boltzmann transport equations (BTEs) scheme designed to capture the mutual drag of the two interacting systems. By combining density functional theory based first principles calculations of anharmonic phonon-phonon interactions with physical models of electron-phonon interactions, we apply our implementation of the coupled BTEs to calculate the thermal conductivity, mobility, Seebeck and Peltier coefficients of n-doped gallium arsenide. The measured low temperature enhancement in the Seebeck coefficient is captured using the solution of the fully coupled electron-phonon BTEs, while the uncoupled electron BTE fails to do so. This work gives insights into the fundamental nature of charge and heat transport in semiconductors and advances predictive ab initio computational approaches. We discuss possible extensions of our work.

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“…The spectra were converted to F(E) following the procedure described by Sturhahn [39] and using the PHOENIX software [40]. For each configuration, the partial F(E) was derived (see sup-plemental material [26]) and summed according to the following ratio: 2 3 F(E) perpendicular + 1 3 F(E) parallel [41], in order to obtain the complete F(E) of the sample. Figure 5 shows the F(E)'s obtained for the different samples together with the bulk Sn F(E) calculated using density functional theory (DFT) and convoluted with the experimental resolution function.…”

Section: Phonon Density Of Statesmentioning

confidence: 99%

“…The electron-phonon interaction plays a fundamental role in electrical transport [1], thermal conductivity [2] and many-body phenomena such as superconductivity [3]. In reduced dimensions, the strength of this interaction is modified due to size effects in both, electronic levels and phonon spectrum.…”

Section: Introductionmentioning

confidence: 99%

Experimental observation of electron-phonon coupling enhancement in Sn nanowires caused by phonon confinement effects

et al. 2019

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Strong effect of electron-phonon interaction on the lattice thermal conductivity in 3C-SiC

Cited by 38 publications

References 31 publications

Phonon-limited carrier mobility and temperature-dependent scattering mechanism of 3C -SiC from first principles

Phonon-limited carrier mobility and temperature-dependent scattering mechanism of 3C -SiC from first principles

Coupled transport of phonons and carriers in semiconductors: A case study of n-doped GaAs

Experimental observation of electron-phonon coupling enhancement in Sn nanowires caused by phonon confinement effects

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