Thermoelectric Properties of Anisotropic Systems

Abstract

The effective transport coefficients and figure of merit ZT for anisotropic systems are derived from a macroscopic formalism. The full tensorial structure of the transport coefficients and the effect of the sample boundaries are included. Induced transverse fields develop which can be larger than the applied fields and which reduce the effective transport coefficients. A microscopic model relevant for multi-valleyed materials is introduced which utilizes the effective-mass and relaxation-time approximations. The thermopower and Lorentz number are independent of the tensorial structure of the transport coefficients in this case and are therefore isotropic. ZT is also isotropic for vanishing lattice thermal conductivity κ_\ell. For non-vanishing but sufficiently isotropic κ_\ell, ZT is maximal along the direction of highest electrical conductivity σ. Numerical calculations suggest that maximal ZT generally occurs along the principal direction with the largest σ/κ_\ell. An explicit bound on ZT is derived. Several results for specific systems are obtained: (1) Bulk n-type Bi_2Te_3 exhibits easily observable induced transverse fields and anisotropic ZTs. (2) Increased anisotropy in HgTe/ Hg_{1-x}Cd_xTe superlattices (SLs) is associated with larger induced fields. (3) The valley degeneracy is split and the bulk masses modified in isolated Bi_2Te_3 quantum wells, resulting in optimal ZTs for wells grown along the trigonal direction. (4) Non-parabolic dispersion in SLs has little effect on the thermopower at the carrier concentrations which maximize ZT.