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 update(self, **kwargs):
'''
a function to update the intrinsic BandGap
inputs:
temperature: (optional)
in kelvin
author: (optional)
the author used.
If not provided the last provided author is used
If no author has been provided, Couderc's model is used
output:
The intrinsic carrier concentration in cm^-3.
Note this is not the effective intrinsic carrier concentration
'''
self.calculationdetails = kwargs
# a check to make sure the model hasn't changed
if 'author' in kwargs.keys():
self.change_model(self._cal_dts['author'])
# if the model required the energy gap, calculate it
if self.model == 'ni_temp_eg':
Eg = IntrinsicBandGap(material=self._cal_dts['material'],
author=self.vals['eg_model']).update(
temp=self._cal_dts['temp'], multiplier=1)
else:
Eg = 0
self.ni = getattr(ni_models, self.model)(self.vals,
temp=self._cal_dts['temp'],
Eg=Eg)
return self.ni
def check_models(self, Plot=True):
'''
Displays a plot of all the models against experimental data
'''
# fig = plt.figure('Intrinsic carriers')
fig, ax = plt.subplots(1)
fig.suptitle('Intrinsic carrier concentration')
# fig.set_title('Intrinsic carriers')
temp = np.linspace(100, 500)
Eg = IntrinsicBandGap(material='Si',
author='Passler2002').update(temp=1,
multiplier=1)
Eg = 1.17
for author in self.available_models():
ni = self.update(temp=temp, author=author)
if Plot:
ax.plot(np.log(temp),
np.log(ni *
np.exp(Eg / 2. * Const.e / Const.k / temp)),
label=author)
a = self.update(temp=300, author=author)
print('{1} \t {0:.2e}'.format(a[0], author))
test_file = os.path.join(os.path.dirname(os.path.realpath(__file__)),
'Si', 'check data', 'ni.csv')
data = np.genfromtxt(test_file,
delimiter=',',
names=True,
skip_header=1,
filling_values=np.inf)
if Plot:
for name in data.dtype.names[1:]:
ax.plot(
np.log(data['Temp']),
np.log(data[name] *
np.exp(Eg / 2. * Const.e / Const.k / data['Temp'])),
'o',
label='experimental values\'s: ' + name)
ax.set_xlabel('log(Temperature (K))')
ax.set_ylabel(r'$log(n_i \times e^{Eg_0(0)/kT} )$')
ax.legend(loc=0)
ax.set_xlim(4, 6)
ax.set_ylim(42, 47)
plt.show()
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()
