class BandGap(HelperFunctions):
'''
A simple class to combine the intrinsic band gap and
band gap narrowing classes for easy access
'''
_cal_dts = {
'material': 'Si',
'temp': 300.,
'iEg_author': None,
'multiplier': 1.,
'BGN_author': None,
'dopant': 'boron',
'nxc': 1,
'Na': 1e16,
'Nd': 0,
}
def __init__(self, **kwargs):
# update any values in cal_dts
# that are passed
self.calculationdetails = kwargs
# pass values to models
self._update_links()
def _update_links(self):
self.iEg = IntrinsicBandGap(
material=self._cal_dts['material'],
author=self._cal_dts['iEg_author'],
temp=self._cal_dts['temp'],
multiplier=self._cal_dts['multiplier'],
)
self.BGN = BandGapNarrowing(
material=self._cal_dts['material'],
author=self._cal_dts['BGN_author'],
temp=self._cal_dts['temp'],
nxc=self._cal_dts['nxc'],
)
def plot_all_models(self):
self.iEg.plot_all_models()
self.BGN.plot_all_models()
def update(self, **kwargs):
'''
Calculates the band gap
'''
self.calculationdetails = kwargs
# just prints a warning if the model is for the incorrect
# dopants
dopant_model_list = self.BGN.available_models('dopant',
self._cal_dts['dopant'])
# check dopant and model line up
if self._cal_dts['BGN_author'] not in dopant_model_list:
sys.exit(
'''\nThe BGN author you have selected was not for your'''
''' selected dopant.\n'''
'''Please try selecting one of the following authors:\n\t''' +
str('\n\t'.join([i for i in dopant_model_list])) +
'''\nFor the selected dopant: {0}\n'''.format(
self._cal_dts['dopant']))
Eg = self.iEg.update(material=self._cal_dts['material'],
author=self._cal_dts['iEg_author'],
temp=self._cal_dts['temp'],
multiplier=self._cal_dts['multiplier'],
) - \
self.BGN.update(material=self._cal_dts['material'],
author=self._cal_dts['BGN_author'],
temp=self._cal_dts['temp'],
nxc=self._cal_dts['nxc'],
Na=self._cal_dts['Na'],
Nd=self._cal_dts['Nd'],
)
return Eg
def check_models(self):
self.iEg.check_models()
self.BGN.check_models()
class BandGap(BaseModelClass):
'''
A simple class that combines the intrinsic band gap and
band gap narrowing classes for easy access
Inputs to this class are:
1. material: (str)
The elemental name for the material. Defualt (Si)
2. temp: (float)
The temperature of the material in Kelvin (300)
3. iEg_author: (str)
The author of the intrinsic band gap model to be used
4. multiplier: (float)
A multipler. This is a hack that people use to adjust the bandgap to achieve other desired values.
5. BGN_author: (str)
The author of the band gap narrowing.
4. nxc: (array like cm^-3)
The number of excess carriers
5. Na: (array like cm^-3)
The number of acceptor dopants
6. Nd: (array like cm^-3)
The number of donar dopants
'''
_cal_dts = {
'material': 'Si',
'temp': 300.,
'iEg_author': None,
'multiplier': 1.,
'BGN_author': None,
'dopant': 'boron',
'nxc': 1,
'Na': 1e16,
'Nd': 0,
}
def __init__(self, **kwargs):
# update any values in cal_dts
# that are passed
self.calculationdetails = kwargs
# pass values to models
self._update_links()
def _update_links(self):
self.iEg = IntrinsicBandGap(
material=self._cal_dts['material'],
author=self._cal_dts['iEg_author'],
temp=self._cal_dts['temp'],
multiplier=self._cal_dts['multiplier'],
)
self.BGN = BandGapNarrowing(
material=self._cal_dts['material'],
author=self._cal_dts['BGN_author'],
temp=self._cal_dts['temp'],
nxc=self._cal_dts['nxc'],
)
def plot_all_models(self):
self.iEg.plot_all_models()
self.BGN.plot_all_models()
def update(self, **kwargs):
'''
Calculates the band gap
'''
self.calculationdetails = kwargs
# just prints a warning if the model is for the incorrect
# dopants
dopant_model_list = self.BGN.available_models('dopant',
self._cal_dts['dopant'])
# check dopant and model line up
if self._cal_dts['BGN_author'] not in dopant_model_list:
sys.exit(
'''\nThe BGN author you have selected was not for your'''
''' selected dopant.\n'''
'''Please try selecting one of the following authors:\n\t''' +
str('\n\t'.join([i for i in dopant_model_list])) +
'''\nFor the selected dopant: {0}\n'''.format(
self._cal_dts['dopant']))
Eg = self.iEg.update(material=self._cal_dts['material'],
author=self._cal_dts['iEg_author'],
temp=self._cal_dts['temp'],
multiplier=self._cal_dts['multiplier'],
) - \
self.BGN.update(material=self._cal_dts['material'],
author=self._cal_dts['BGN_author'],
temp=self._cal_dts['temp'],
nxc=self._cal_dts['nxc'],
Na=self._cal_dts['Na'],
Nd=self._cal_dts['Nd'],
)
return Eg
def check_models(self):
self.iEg.check_models()
self.BGN.check_models()