bulk_dispersion{}

Calculate bulk k.p dispersion of the material at a specific position in the simulation domain.

path{ }

calculate bulk k.p dispersion along custom path in k-space. Multiple instances are allowed.

name
value

string

name of the dispersion which also defines the name of the output file.

position{ }

specifies the point (x,y,z) in the simulation domain, where the dispersion has to be calculated.

x
value

float

for 1D simulations (x)

y
value

float

for 2D simulations (x,y)

z
value

float

for 3D simulations (x,y,z)

shift_holes_to_zero
value

yes or no

default

no

If enabled, shifts the whole dispersion, so that the energy for the Gamma point for the highest hole band is equal to 0.0 [eV].

point{ }

specifies points in the path through k-space. At least two k points have to be defined. Line between two such points is called segment.

k
value

3D float vector

k-point represented by vector \([k_x, k_y, k_z]\). The units are \(nm^{-1}\).

spacing
value

float

specifies approximate spacing for intermediate points in the path segments in \(nm^{-1}\). Excludes num_points.

num_points
value

integer > 1

specifies number of points (intermediate + two corner points) for each single path segment. Excludes spacing.

lines{ }

calculate dispersions along some predefined paths of high symmetry in k-space, e.g. [100], [110], [111] and their equivalents (in total maximally 13).

name
value

string

name of the dispersions which also defines the names of the output files.

position{ }

specifies the point (x,y,z) in the simulation domain, where the dispersion has to be calculated.

x
value

float

for 1D simulations (x)

y
value

float

for 2D simulations (x,y)

z
value

float

for 3D simulations (x,y,z)

shift_holes_to_zero
value

yes or no

default

no

If enabled shifts the whole dispersion, so that the energy for the Gamma point for the highest hole band is equal to 0.0 [eV].

spacing
value

float

specifies approximate spacing for intermediate points in the path segments in \(nm^{-1}\).

k_max
value

float

specifies a maximum absolute value (radius) for the k-vector in \(nm^{-1}\)

full{ }

calculate bulk k.p dispersion in 3D k-space. Multiple instances are allowed.

name
value

string

name of the dispersions which also defines the names of the output files.

position{ }

specifies the point (x,y,z) in the simulation domain, where the dispersion has to be calculated.

x
value

float

for 1D simulations (x)

y
value

float

for 2D simulations (x,y)

z
value

float

for 3D simulations (x,y,z)

shift_holes_to_zero
value

yes or no

default

no

If enabled shifts the whole dispersion, so that the energy for the Gamma point for the highest hole band is equal to 0.0 [eV].

kxgrid{ }

specifies a grid{...} in k-space for a 1D/2D/3D plot of the energy dispersion E(kx, ky, kz). allowed only, if simulation is periodic along x-direction and current quantum region extends over the whole x-domain. The options are same as grid{}

kygrid{ }

The options are same as kxgrid{ }.

kzgrid{ }

The options are same as kxgrid{ }.

output_bulk_dispersions{ }

output all defined bulk k.p dispersions.

output_masses{ }

output effective masses calculated from the dispersions.