API Documentation

ThermoElectric.carrier_concentration(...[, ...])

This function computes the carrier concentration.

ThermoElectric.band_structure(path_eigen, ...)

A function to read "EIGENVAL" file

ThermoElectric.electron_density(...)

A function to read "DOSCAR" file

ThermoElectric.fermi_level(carrier, energy, ...)

This function uses Joice Dixon approximation to predict Ef and thereby the carrier concentration at each temperature A good reference book is "Principles of Semiconductor Devices" by Sima Dimitrijev.

ThermoElectric.fermi_self_consistent(...)

Self-consistent calculation of the Fermi level from a given carrier concentration using Joyce Dixon approximation as the initial guess for degenerate semiconductors.

ThermoElectric.group_velocity(kpoints, ...)

Group velocity is the derivation of band structure from DFT.

ThermoElectric.tau_p(energy, alpha_term, ...)

Electron-phonon scattering rate using Ravich model

ThermoElectric.tau_strongly_screened_coulomb(...)

Electron-impurity scattering model in highly doped dielectrics

ThermoElectric.tau_screened_coulomb(energy, ...)

Electron-ion scattering rate — Brook-Herring model

ThermoElectric.tau_unscreened_coulomb(...)

Electron-ion scattering rate for shallow dopants ~10^18 1/cm^3 (no screening effect is considered)

ThermoElectric.tau_2d_cylinder(energy, ...)

A fast algorithm that uses Fermi’s golden rule to compute the energy dependent electron scattering rate from cylindrical nano-particles or nano-scale pores infinitely extended perpendicular to the current.

ThermoElectric.tau3D_spherical(num_kpoints, ...)

A fast algorithm that uses Fermi’s golden rule to compute the energy dependent electron scattering rate from spherical nano-particles or nano-scale pores.

ThermoElectric.electrical_properties(E, DoS, ...)

This function returns electronic properties.