Parameters for calculating SeebeckCoefficient

Parameters here are for calculating Seebeck coefficients for a device. The calculation must be performed after the transmision calculation.

calculation.Seebeck.temperature

keyword: calculation.Seebeck.temperature

possible values: 1 x n double array with n an integer

default value: [200 300 400]

description: The Seebeck coefficients will be calculated respectively when the temperature is set to those input values. It is in the unit of K. Note: the Boltzmann constant k = 8.617342e-05(eV/K) = 3.1668151e-06 (Hartree/K).

an example:

calculation.Seebeck.temperature = 0:5:500

calculation.Seebeck.chemicalPotentialEnergies

keyword: calculation.Seebeck.chemicalPotentialEnergies

possible values: 1 x n double array with n an integer

default value: 0

description: The Seebeck coefficients will be calculated respectively when the chemical potential energy is set to those input values. It is in the unit of eV.

an example:

calculation.Seebeck.chemicalPotentialEnergies = [0:5]/1000

calculation.Seebeck.plot

keyword: calculation.Seebeck.plot

possible values: true or false

default value: false

description: If true, a plot will be given after the calculation.

an example:

calculation.Seebeck.plot = true