quantum{ region{ excitons{} } }

An optional group triggering computation of binding energies of excitons.

Note

This feature is under development.

electron_mass

Effective mass of electron involved in the exciton

type:

real

values:

1e-3 < x < 10

default:

volume average of values from database

hole_mass

Effective mass of hole involved in the exciton

type:

real

values:

1e-3 < x < 10

default:

volume average of values from database

density_averaged_masses

Effective masses of hole and electron are averaged with weights taken from probability densities of related states

type:

choice

values:

yes or no

default:

no

dielectric_const

Effective dielectric constant assumed for electron-hole Coulomb interaction; If no explicit value of the dielectric constant is set, then the material values of the static dielectric constant (as given by the database and used in Poisson equation) are volume-averaged over the quantum region

type:

real

values:

1 < x < 1e3

default:

volume average of values from database

energy_cutoff

Maximum energy difference of electron and hole states involved in forming exciton

type:

real

values:

1e-3 < x

accuracy (optional)

Accuracy used in minimisation procedure to compute the exciton binding energy

type:

real

values:

1e-10 < x < 0.1