def test_64_quantum_mechanics_schrodinger(self):
bulk = material("GaAs")(T=293)
barrier = material("GaAsP")(T=293, P=0.1)
bulk.strained = False
barrier.strained = True
top_layer = Layer(width=si("30nm"), material=bulk)
inter = Layer(width=si("3nm"), material=bulk)
barrier_layer = Layer(width=si("15nm"), material=barrier)
bottom_layer = top_layer
E = np.linspace(1.15, 1.5, 300) * q
alfas = np.zeros((len(E), 6))
alfas[:, 0] = E / q
alpha_params = {
"well_width": si("7.2nm"),
"theta": 0,
"eps": 12.9 * vacuum_permittivity,
"espace": E,
"hwhm": si("6meV"),
"dimensionality": 0.16,
"line_shape": "Gauss"
}
QW = material("InGaAs")(T=293, In=0.2)
QW.strained = True
well_layer = Layer(width=si("7.2nm"), material=QW)
my_structure = Structure(
[top_layer, barrier_layer, inter] +
1 * [well_layer, inter, barrier_layer, inter] + [bottom_layer],
substrate=bulk)
band_edge, bands = QM.schrodinger(my_structure,
quasiconfined=0,
num_eigenvalues=20,
alpha_params=alpha_params,
calculate_absorption=True)
for key in band_edge['E']:
for i in range(len(band_edge['E'][key])):
band_edge['E'][key][i] = solcore.asUnit(
band_edge['E'][key][i], 'eV') * 1000
band_edge['E'][key][i] = round(band_edge['E'][key][i])
Ehh = np.all(np.equal(band_edge['E']['Ehh'], my_energies['Ehh']))
Elh = np.all(np.equal(band_edge['E']['Elh'], my_energies['Elh']))
Ee = np.all(np.equal(band_edge['E']['Ee'], my_energies['Ee']))
idx = 100
out = [band_edge['alpha'][0][idx] / q, band_edge['alpha'][1][idx]]
# Test over the energies
self.assertTrue(Ehh and Elh and Ee)
# Test over the absorption coefficent at a given energy
for i, data in enumerate(out):
self.assertAlmostEqual(out[i], my_absorption[i])
# The following lines create the QW structure, with different number of QWs and interlayers
# test_structure = Structure([top_layer, barrier_layer, inter] + 1 * [well_layer, inter, barrier_layer, inter] +
# [bottom_layer])
test_structure = Structure([barrier_layer, inter] +
1 * [well_layer, inter] + [barrier_layer])
# test_structure = Structure([top_layer, barrier_layer] + 1 * [well_layer, barrier_layer] +
# [bottom_layer])
test_structure.substrate = bulk
# Finally, the quantum properties are claculated here
output = QM.schrodinger(test_structure,
quasiconfined=0,
num_eigenvalues=20,
alpha_params=alpha_params,
calculate_absorption=True)
alfa = output[0]['alphaE'](E)
plt.plot(1240 / (E / q), alfa / 100, label='{}%'.format(int(i * 100)))
alfas[:, j + 1] = alfa / 100
plt.xlim(826, 1100)
plt.ylim(0, 23000)
plt.xlabel('Wavelength (nm)')
plt.ylabel('$\\alpha$ cm$^{-1}$')
plt.legend(loc='upper right', frameon=False)
plt.tight_layout()
plt.show()
"dimensionality": 0.16,
"line_shape": "Gauss"
}
# We create the QW material at the given composition
QW = material("InGaAs")(T=293, In=0.15)
QW.strained = True
# And the layer
well_layer = Layer(width=si("7.2nm"), material=QW)
# The following lines create the QW structure, with different number of QWs and interlayers
# test_structure = Structure([top_layer, barrier_layer, inter] + 10 * [well_layer, inter, barrier_layer, inter] +
# [bottom_layer])
# test_structure = Structure([barrier_layer, inter] + 1 * [well_layer, inter] +
# [barrier_layer])
test_structure = Structure([top_layer, barrier_layer] +
10 * [well_layer, barrier_layer] + [bottom_layer])
test_structure.substrate = bulk
# Finally, the quantum properties are claculated here
output = QM.schrodinger(test_structure,
quasiconfined=0,
graphtype='potentials',
num_eigenvalues=50,
alpha_params=alpha_params,
calculate_absorption=True)
def test_quantum_mechanics_schrodinger():
""" Testing schrodinger equation solver
"""
bulk = material("GaAs")(T=293)
barrier = material("GaAsP")(T=293, P=0.1)
bulk.strained = False
barrier.strained = True
top_layer = Layer(width=si("30nm"), material=bulk)
inter = Layer(width=si("3nm"), material=bulk)
barrier_layer = Layer(width=si("15nm"), material=barrier)
bottom_layer = top_layer
E = np.linspace(1.15, 1.5, 300) * q
alfas = np.zeros((len(E), 6))
alfas[:, 0] = E / q
alpha_params = {
"well_width": si("7.2nm"),
"theta": 0,
"eps": 12.9 * vacuum_permittivity,
"espace": E,
"hwhm": si("6meV"),
"dimensionality": 0.16,
"line_shape": "Gauss",
}
QW = material("InGaAs")(T=293, In=0.2)
QW.strained = True
well_layer = Layer(width=si("7.2nm"), material=QW)
my_structure = Structure(
[
top_layer,
barrier_layer,
inter,
well_layer,
inter,
barrier_layer,
inter,
bottom_layer,
],
substrate=bulk,
)
band_edge, bands = QM.schrodinger(
my_structure,
quasiconfined=0,
num_eigenvalues=20,
alpha_params=alpha_params,
calculate_absorption=True,
)
for key in band_edge["E"]:
for i in range(len(band_edge["E"][key])):
band_edge["E"][key][i] = solcore.asUnit(band_edge["E"][key][i],
"eV") * 1000
band_edge["E"][key][i] = round(band_edge["E"][key][i])
Ehh = np.all(np.equal(band_edge["E"]["Ehh"], my_energies["Ehh"]))
Elh = np.all(np.equal(band_edge["E"]["Elh"], my_energies["Elh"]))
Ee = np.all(np.equal(band_edge["E"]["Ee"], my_energies["Ee"]))
idx = 100
out = [band_edge["alpha"][0][idx] / q, band_edge["alpha"][1][idx]]
# Test over the energies
assert Ehh and Elh and Ee
# Test over the absorption coefficent at a given energy
for i, data in enumerate(out):
assert out[i] == approx(my_absorption[i], rel=1e-4)
def solve(self,
Efield=0,
WLsteps=(300e-9, 1100e-9, 801),
wavelengths=None,
periodic=True,
filter_strength=0.0,
blur=None,
blurmode="left",
offset=0,
mode='kp8x8_bulk',
use_Adachi=False,
calculate_absorption=True,
alpha_params=None,
T=293):
""" Solves the structure, calculating the energy levels, the absorption, etc. """
if alpha_params == None:
if wavelengths is None:
self.wl = np.linspace(*WLsteps)
else:
self.wl = wavelengths
E = 1240 / (self.wl * 1e9) * q
alpha_params = {
"well_width": self.QW_width,
"theta": 0,
"eps": 12.9 * vacuum_permittivity,
"espace": E,
"hwhm": si("4meV"),
"dimensionality": 0.2,
"line_shape": "Gauss"
}
else:
self.wl = 1240 / (alpha_params["espace"] * 1e-9) * q
SR, bands = schrodinger(self,
mode=mode,
periodic=True,
calculate_absorption=calculate_absorption,
Efield=Efield,
blur=None,
blurmode=blurmode,
alpha_params=alpha_params,
filter_strength=filter_strength)
self.schrodinger = SR
self.bands = bands
self.__dict__["elevels"] = (SR["E"]["Ee"][:] -
min(SR["potentials"]["Ve"])) / q
self.__dict__["hhlevels"] = (max(SR["potentials"]["Vhh"]) -
SR["E"]["Ehh"][:]) / q
self.__dict__["lhlevels"] = (max(SR["potentials"]["Vlh"]) -
SR["E"]["Elh"][:]) / q
self.RecalculateBandEdges(mode, SR)
self.RecalculateDensityOfStates(SR)
if calculate_absorption:
self.CalculateAbsorption(use_Adachi, SR)
return SR
}
# We create the QW material at the given composition
QW = material("InGaAs")(T=293, In=0.15, strained=True)
# And the layer
well_layer = Layer(width=si("7.2nm"), material=QW)
# The following lines create the QW structure, with different number of QWs and interlayers
## A single QW with interlayers
# test_structure = Structure([top_layer, inter, well_layer, inter, bottom_layer])
## 10 QWs without interlayers
test_structure = Structure([top_layer, barrier_layer] +
10 * [well_layer, barrier_layer] + [bottom_layer])
test_structure.substrate = bulk
# Finally, the quantum properties are claculated here
output = QM.schrodinger(test_structure,
quasiconfined=0.05,
graphtype='potentialsLDOS',
periodic=False,
num_eigenvalues=200,
alpha_params=alpha_params,
calculate_absorption=False,
Efield=0,
show=True,
pdf=False)
import solcore.quantum_mechanics as QM
# First we create the materials we need
bulk = material("GaAs")(T=293, strained=False)
barrier = material("GaAsP")(T=293, P=0.1, strained=True)
# As well as some of the layers
top_layer = Layer(width=si("30nm"), material=barrier)
inter = Layer(width=si("3nm"), material=bulk)
barrier_layer = Layer(width=si("5nm"), material=barrier)
bottom_layer = top_layer
# We create the QW material at the given composition
QW = material("InGaAs")(T=293, In=0.15, strained=True)
# And the layer
well_layer = Layer(width=si("7.2nm"), material=QW)
# The following lines create the QW structure, with different number of QWs and interlayers. Indicating the substrate
# material with the keyword "substrate" is essential in order to calculate correctly the strain.
# A single QW with interlayers
test_structure_1 = Structure([top_layer, inter, well_layer, inter, bottom_layer], substrate=bulk)
output_1 = QM.schrodinger(test_structure_1, quasiconfined=0, graphtype='potentials', num_eigenvalues=20, show=True)
# 10 QWs without interlayers
test_structure_2 = Structure([top_layer, barrier_layer] + 10 * [well_layer, barrier_layer] + [bottom_layer],
substrate=bulk)
output_2 = QM.schrodinger(test_structure_2, quasiconfined=0.05, graphtype='potentialsLDOS', num_eigenvalues=200,
show=True)