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Transport coefficients in diamond from ab-initio calculations
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
2013 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 102, no 9, 092106- p.Article in journal (Refereed) Published
Abstract [en]

By combining the Boltzmann transport equation with ab-initio electronic structure calculations, we obtain transport coefficients for boron-doped diamond. We find the temperature dependence of the resistivity and the hall coefficients in good agreement with experimental measurements. Doping in the samples is treated via the rigid band approximation and scattering is treated in the relaxation time approximation. In contrast to previous results, the acoustic phonon scattering is the dominating scattering mechanism for the considered doping range. At room temperature, we find the thermopower, S, in the range 1-1.6 mV/K and the power factor, S-2 sigma, in the range 0.004-0.16 mu W/cm K-2.

Place, publisher, year, edition, pages
2013. Vol. 102, no 9, 092106- p.
Keyword [en]
Space Gaussian Pseudopotentials, Chemical-Vapor-Deposition, Cvd-Diamond, Films
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-120289DOI: 10.1063/1.4794062ISI: 000316085200034ScopusID: 2-s2.0-84875148580OAI: diva2:614443

QC 20130404

Available from: 2013-04-04 Created: 2013-04-04 Last updated: 2013-04-04Bibliographically approved

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Ahuja, Rajeev
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