BandsArea

class BandsArea(k_area: Area, energy: _SupportsArray[dtype[Any]] | _NestedSequence[_SupportsArray[dtype[Any]]] | bool | int | float | complex | str | bytes | _NestedSequence[bool | int | float | complex | str | bytes])

Band structure alond an area in k-space

Parameters:

k_areaArea

The Area in reciprocal space for which the bands were calculated. E.g. constructed using make_area().

energyarray_like

Energy values for the bands along the path in k-space.

Attributes

callsig
energy_area
k_area	The area in the k-space
num_bands

Methods

_decorate_plot([point_labels, ax])	Decorate the band structure
_point_names(k_points)
area_to_list(data)	Convert the data to the list
dos([energies, broadening])	Calculate the density of states as a function of energy
karea_to_kpath(k_area)	Convert the Area to the Path
list_to_area(data)	Convert the list to the area
plot([point_labels, ax, band_index, colorbar])	Area plot of the selected band from the band structure
plot_karea([point_labels])	Scatter plot of the k-area along which the bands were computed
plot_kpath([point_labels])	Quiver plot of the k-path along which the bands were computed

area_to_list(data: _SupportsArray[dtype[Any]] | _NestedSequence[_SupportsArray[dtype[Any]]] | bool | int | float | complex | str | bytes | _NestedSequence[bool | int | float | complex | str | bytes]) → ndarray

Convert the data to the list

Parameters:

dataArrayLike

The data to convert.

dos(energies: _SupportsArray[dtype[Any]] | _NestedSequence[_SupportsArray[dtype[Any]]] | bool | int | float | complex | str | bytes | _NestedSequence[bool | int | float | complex | str | bytes] | None = None, broadening: float | None = None) → Series

Calculate the density of states as a function of energy

\[\text{DOS}(E) = \frac{1}{c \sqrt{2\pi}} \sum_n{e^{-\frac{(E_n - E)^2}{2 c^2}}}\]

for each \(E\) in energies, where \(c\) is broadening and \(E_n\) is eigenvalues[n].

Parameters:

energiesarray_like

Values for which the DOS is calculated. Default: min/max from Bands().energy, subdivided in 100 parts [ev].

broadeningfloat

Controls the width of the Gaussian broadening applied to the DOS. Default: 0.05 [ev].

Returns

——-

:class:`~pybinding.Series`

karea_to_kpath(k_area: Area) → Path

Convert the Area to the Path

Parameters:

k_areaArea

The area in the k-space.

list_to_area(data: _SupportsArray[dtype[Any]] | _NestedSequence[_SupportsArray[dtype[Any]]] | bool | int | float | complex | str | bytes | _NestedSequence[bool | int | float | complex | str | bytes]) → ndarray

Convert the list to the area

Parameters:

dataArrayLike

The data to convert.

plot(point_labels: List[str] | None = None, ax: Axes | None = None, band_index: int = 0, colorbar: bool = True, **kwargs) → QuadMesh

Area plot of the selected band from the band structure

Parameters:

point_labelsOptional[List[str]]

Labels for the k_points.

axOptional[plt.Axes]

The Axis to plot the bands on.

band_indexint

The index of the band to plot. Default: 0.

colorbarbool

Show also the colorbar.

plot_karea(point_labels: List[str] | None = None, **kwargs) → None

Scatter plot of the k-area along which the bands were computed

Combine with Lattice.plot_brillouin_zone() to see the path in context.

Parameters:

point_labelsOptional[List[str]]

Labels for the k-points.

**kwargs

Forwarded to scatter().

plot_kpath(point_labels: List[str] | None = None, **kwargs) → None

Quiver plot of the k-path along which the bands were computed

Combine with Lattice.plot_brillouin_zone() to see the path in context.

Parameters:

point_labelsOptional[List[str]]

Labels for the k-points.

**kwargs

Forwarded to quiver().

property k_area: Area

The area in the k-space