output_polarization_charge_components{ }

Calling sequence

strain{ output_polarization_charge_components{ } }

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Outputs piezoelectric and pyroelectric charge densities (${\rho }_{\mathrm{pz}}$ and ${\rho }_{\mathrm{py}}$) expressed in 10¹⁸/cm³to the files Strain\polarization_charge_density_piezo.dat and Strain\polarization_charge_density_pyro.dat, respectively.

Pyroelectric charges due to spontaneous polarization apply to wurtzite only. It applies to wurtzite only and is independent of strain. It is present due to spontaneous polarization.

Piezoelectric charges can be calculated for both zinc blende and wurtzite in case the strain was calculated. For diamond-like crystal structures, that have an inversion center such a Si or Ge, piezoelectric charges do not exist.

Example

strain{
    output_polarization_charge_components{}
    pseudomorphic_strain{}
}