Thermal conductivity reduction in highly-doped cubic SiC by phonon-defect and phonon-electron scattering

We calculate the thermal conductivity (κ) of highly N- and B-doped cubic silicon carbide (SiC) with defect concentrations (Cdef) from 1016 to 1021 cm−3 and compare the relative importance of the extrinsic phonon-electron and phonon-defect scattering mechanisms. Whereas phonon-electron scattering dom...

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Veröffentlicht in:Materials today physics 2024-02, Vol.41, p.101346, Article 101346
Hauptverfasser: Pang, Guijian, Meng, Fanchen, Chen, Yani, Katre, Ankita, Carrete, Jesús, Dongre, Bonny, Madsen, Georg K.H., Mingo, Natalio, Li, Wu
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Sprache:eng
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Zusammenfassung:We calculate the thermal conductivity (κ) of highly N- and B-doped cubic silicon carbide (SiC) with defect concentrations (Cdef) from 1016 to 1021 cm−3 and compare the relative importance of the extrinsic phonon-electron and phonon-defect scattering mechanisms. Whereas phonon-electron scattering dominates over phonon-defect scattering at low Cdef up to about 1020 cm−3 at room temperature in N-doped SiC, phonon-defect scattering determines the thermal conductivity reduction in the B-doped case. This strong contrast between the electron- and hole-doped cases is related to the much higher ionization energy of B acceptors as compared to that of N donors, and to the resonant scattering caused by B substitution, not present for the N impurity. The similar features can be found in hexagonal phase 4H–SiC. Our results highlight the importance of considering the phonon-electron scattering mechanism together with other phonon scattering processes when calculating the thermal conductivity of doped semiconductors. •The combined treatment of phonon-electron (ph-el) and phonon-defect (ph-def) scattering in thermal conductivity ($\kappa$) reduction.•Both scattering is effective in $\kappa$ reduction for N doping, with ph-el scattering dominanting below 1020 cm−3 at 300 K.•$\kappa$ reduction in B doping is entirely dominated by ph-def scattering due to its resonant behavior and large ionization energy.
ISSN:2542-5293
2542-5293
DOI:10.1016/j.mtphys.2024.101346