On Landauer versus Boltzmann and full band versus effective mass evaluation of thermoelectric transport coefficients

By Changwook Jeong, Raseong Kim, Mathieu Luisier, Supriyo Datta, Mark S. Lundstrom. 2009

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transport is mathematically related to the solution of the Boltzmann transport equation, and expressions for the thermoelectric parameters in both formalisms are presented. Quantum mechanical and semiclassical techniques to obtain from a full description of the bandstructure, Ek, the density of modes in the Landauer approach or the transport distribution in the Boltzmann solution are compared and thermoelectric transport coefficients are evaluated. Several example calculations for representative bulk materials are presented and the full band results are related to the more common effective mass formalism. Finally, given a full Ek for a crystal, a procedure to extract an accurate, effective mass level description is presented. © 2010 American Institute of Physics. doi:10.1063/1.3291120

Subfields: Materials Chemistry

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