45 research outputs found
An efficient algorithm to calculate intrinsic thermoelectric parameters based on Landauer approach
The Landauer approach provides a conceptually simple way to calculate the
intrinsic thermoelectric (TE) parameters of materials from the ballistic to the
diffusive transport regime. This method relies on the calculation of the number
of propagating modes and the scattering rate for each mode. The modes are
calculated from the energy dispersion (E(k)) of the materials which require
heavy computation and often supply energy relation on sparse momentum (k)
grids. Here an efficient method to calculate the distribution of modes (DOM)
from a given E(k) relationship is presented. The main features of this
algorithm are, (i) its ability to work on sparse dispersion data, and (ii)
creation of an energy grid for the DOM that is almost independent of the
dispersion data therefore allowing for efficient and fast calculation of TE
parameters. The inclusion of scattering effects is also straight forward. The
effect of k-grid sparsity on the compute time for DOM and on the sensitivity of
the calculated TE results are provided. The algorithm calculates the TE
parameters within 5% accuracy when the K-grid sparsity is increased up to 60%
for all the dimensions (3D, 2D and 1D). The time taken for the DOM calculation
is strongly influenced by the transverse K density (K perpendicular to
transport direction) but is almost independent of the transport K density
(along the transport direction). The DOM and TE results from the algorithm are
bench-marked with, (i) analytical calculations for parabolic bands, and (ii)
realistic electronic and phonon results for .Comment: 16 Figures, 3 Tables, submitted to Journal of Computational
electronic
Current-induced cooling phenomenon in a two-dimensional electron gas under a magnetic field
We investigate the spatial distribution of temperature induced by a dc
current in a two-dimensional electron gas (2DEG) subjected to a perpendicular
magnetic field. We numerically calculate the distributions of the electrostatic
potential phi and the temperature T in a 2DEG enclosed in a square area
surrounded by insulated-adiabatic (top and bottom) and isopotential-isothermal
(left and right) boundaries (with phi_{left} < phi_{right} and T_{left}
=T_{right}), using a pair of nonlinear Poisson equations (for phi and T) that
fully take into account thermoelectric and thermomagnetic phenomena, including
the Hall, Nernst, Ettingshausen, and Righi-Leduc effects. We find that, in the
vicinity of the left-bottom corner, the temperature becomes lower than the
fixed boundary temperature, contrary to the naive expectation that the
temperature is raised by the prevalent Joule heating effect. The cooling is
attributed to the Ettingshausen effect at the bottom adiabatic boundary, which
pumps up the heat away from the bottom boundary. In order to keep the adiabatic
condition, downward temperature gradient, hence the cooled area, is developed
near the boundary, with the resulting thermal diffusion compensating the upward
heat current due to the Ettingshausen effect.Comment: 25 pages, 7 figure