nanotools.extpot module

Created on 2020-11-25

__author__ = Vincent Michaud-Rioux

class nanotools.extpot.Extpot(axis=1, amplitude=<Quantity(0.0, 'electron_volt')>, shape='zero', gates=NOTHING, dielectrics=NOTHING)

Bases: Base

External potential class

axis

Direction (lattice vector) of external potential modulation. axis is passed to the Fortran code, and hence it ranges from 1 to 3.

Type:

int

amplitude

External potential amplitude.

Type:

float

shape

External potential shape. Valid shapes are

• sawtooth

• zero (default)

Type:

string

set_units(units)

Converts all units to the prescribed unit system (recursive).

Parameters:

units (str) – Unit system (‘atomic’ or ‘si’)

class nanotools.extpot.Region(x_range=None, fractional_x_range: ~typing.List[float] = NOTHING, y_range=None, fractional_y_range: ~typing.List[float] = NOTHING, z_range=None, fractional_z_range: ~typing.List[float] = NOTHING, val=<Quantity(0.0, 'electron_volt')>)

Bases: Base

Region class, defines a constant function in a specified region

fractional_x_range

used to specify the geometry of the parallelepipedic region, eg. [0.3,0.6]

Type:

List[float]

val

a voltage value (for gates) or a dielectric constant

Type:

pint.registry.Quantity