Source code for solcore.structure

from collections import defaultdict
from solcore import ParameterSystem
import solcore

[docs]class Structure(list): """ Subclass of lists that stores information of a 'sample' consisting of several 'layers'.""" def __init__(self, *args, **kwargs): super(Structure, self).__init__(*args) self.__dict__.update(kwargs) self.labels = [None] * len(self)
[docs] def append(self, new_layer, layer_label=None, repeats=1): # Pass the arguments to the superclass for extending for i in range(repeats): # Extend the structure labels self.labels.append(layer_label) super(Structure, self).append(new_layer)
[docs] def append_multiple(self, layers, layer_labels=None, repeats=1): assert type(layers) == type([]), "`append_multiple` only accepts lists for the first argument." if layer_labels is not None: assert len(layers) == len( layer_labels), "When using `layer_labels` keyword a label must be specified for each layer added i.e. layers and layer_labels must have the same number of elements. Either fix this or simply do not assign any labels (i.e. layer_labels=None)." for i in range(repeats): # Extend the structure by appending layers self.extend(layers) # Extend the structure labels by appending an equal number of None values # or by appending the actual labels. if layer_labels is None: self.labels.extend([None] * len(layers)) else: self.labels.extend(layer_labels)
def __str__(self): layer_info = [" {} {}".format( layer, self.labels[i] if self.labels[i] is not None else "", ) for i, (layer, label) in enumerate(zip(self, self.labels))] return "<Structure object\n{}\n{}>".format(str(self.__dict__), "\n".join(layer_info))
[docs] def width(self): return sum([layer.width for layer in self])
[docs] def relative_widths(self): total = 0 aggregate_widths = defaultdict(float) for layer, comment in zip(self, self.labels): aggregate_widths[comment] += layer.width total += layer.width for layername in aggregate_widths.keys(): aggregate_widths[layername] /= total return aggregate_widths
[docs]class Layer: """ Class that stores the information about layers of materials, such as thickness and composition. It is the building block of the 'Structures' """ def __init__(self, width, material, role=None, geometry=None, **kwargs): """ Layer class constructor. :param width: Width of the layer, in SI units. :param material: Solcore material :param role: Role of the layer. :param kwargs: Any other keyword parameter which will become part of the layer attributes """ self.width = width self.material = material self.role = role self.geometry = geometry self.__dict__.update(**kwargs) def __str__(self): """ Representation of the Layer object :return: A string with a summary of the layer properties """ widthstring = "{:.3}nm".format(self.width * 1e9) return "<{}layer {} {}>".format( self.role + " " if self.role != None else "", widthstring, self.material, )
[docs]class Junction(list): """ Class that groups together the layers that make a junction. Esentially, it is just a list with attributes you can update. """ def __init__(self, *args, **kwargs): self.__dict__.update(kwargs) list.__init__(self, *args) def __str__(self): layer_info = ["{}".format(layer) for layer in self] return "<Junction object \n\t{}\n\t{}>".format(str(self.__dict__), "\n\t".join(layer_info))
[docs]class TunnelJunction(Junction): """ Class that contains the minimum definitions for a tunnel junction, ie. a series resistance in our case. """ def __init__(self, *args, **kwargs): Junction.__init__(self, *args, **kwargs) self.R = kwargs['R'] if 'R' in kwargs.keys() else 1e-16 = kwargs['pn'] if 'pn' in kwargs.keys() else True
# CONVERSION UTILITIES # The following functions are used to move back and forth between the Solcore structures and the Device structures used # in the PDD solver
[docs]def InLineComposition(layer): """ Hack to use the Adachi-alfa calculator, provinding the composition as a single string :param layer: A layer as defined in the Device structures of the PDD solver :return: A mterial string """ comp = layer['properties']['composition'] if 'element' in comp.keys(): return comp['material'].replace(comp['element'], comp['element'] + str(comp['fraction'])) else: return comp['material']
[docs]def SolcoreMaterialToStr(material_input): """ Translate a solcore material into something than can be easily stored in a file and read :param material_input: A solcore material :return: A dictionary with the name, consituents and composition of the material """ material_string = material_input.__str__().strip('<>').split(" ") material_name = material_string[0].strip("'") composition = {'material': material_name} alloy = True if len(material_input.composition) > 0 else False if alloy: material_composition = material_string[2].split("=") for i, comp in enumerate(material_composition): if comp in material_name: composition['element'] = material_composition[i] composition['fraction'] = float(material_composition[i + 1]) return composition
[docs]def ToSolcoreMaterial(comp, T, execute=False, **kwargs): """ It provides a solcore material out of its string composition. The output can be a string with the command or a solcore material itself. :param comp: A Solcore material as a string :param T: The temperature :param execute: If a Solcore material must be provided or just a string that would do that. :return: A Solcore material or a string with the command to calculate the solcore material """ # It provides a solcore material out of its string composition. The output can be a string with the comand or a solcore material itself. if 'element' in comp.keys(): # A ternary material out = 'solcore.material("%s")(T=%s, %s=%s' % (comp['material'], T, comp['element'], comp['fraction']) else: # A binary material out = 'solcore.material("%s")(T=%s' % (comp['material'], T) for key in kwargs.keys(): out = out + ', {}={}'.format(key, kwargs[key]) out = out + ') ' if execute: return eval(out) else: return out
[docs]def ToLayer(width, material, role): """ Creates a Layer based on strings containing the width, the material and the role :param width: Width of the layer :param material: Material of the layer, as a string :param role: The role of the layer :return: A Solcore Layer """ return eval('Layer( width=%s, material=%s, role="%s" )' % (width, material, role))
[docs]def ToStructure(device): """ Translate the device object (as used by the PDD solver) into a list of solcore Structure that can be used in other plugings. Only translate the composition, for now. It works only on non-nested device structures (QW, for example, but not in devices with QW) :param device: A solcore device structure as used by the PDD solver :return: A Solcore Structure """ LayersList = [] MatList = [] for i in range(device['numlayers']): layer = device['layers'][i] MatList.append(ToSolcoreMaterial(layer['properties']['composition'], device['T'])) LayersList.append(ToLayer(layer['properties']['width'], MatList[i], layer['label'])) LayersList[-1].material.strained = 'True' LayersList = Structure(LayersList) LayersList.substrate = ToSolcoreMaterial(device['substrate'], device['T'], execute=True) return LayersList