def test_equal_wavenumbers_for_type_two_eh():
"""Tests if the wavenumbers of the electron/hole wavefunctions are equal, given all relevant variables are equal.
"""
a = Material(1.0, 0.0, 1.0, 1.0, 1.0)
b = Material(1.0, -0.5, 1.0, 1.0, 1.0) # Lower band edges.
csnc = CoreShellParticle(a, b, 1.0, 1.0) # Type 1 CSNC.
electron_core_wavenumber, electron_shell_wavenumber, hole_core_wavenumber, hole_shell_wavenumber = (
csnc.calculate_wavenumbers())
test.assert_allclose(electron_core_wavenumber, hole_shell_wavenumber)
test.assert_allclose(electron_shell_wavenumber, hole_core_wavenumber)
def test_wavenumbers_are_order_unity():
"""Tests that wavenumbers are approximately around 1.
"""
a = Material(1.0, 0.0, 1.0, 1.0, 1.0)
b = Material(1.0, -0.5, 1.0, 1.0, 1.0) # Lower band edges.
csnc1 = CoreShellParticle(a, b, 1.0, 1.0) # Type 2 CSNC. h/e structure.
wavenumbers = csnc1.calculate_wavenumbers()
assert np.all(
np.logical_and(1e-1 < abs(wavenumbers),
abs(wavenumbers) < 10))
from pyncband import Material, CoreShellParticle
if __name__ == "__main__":
AlSb = Material(1.6, -2.9, 0.12, 0.98, 2, "AlSb")
CdS = Material(2.4, -3.5, 0.21, 0.8, 3, "CdS")
test.assert_almost_equal(AlSb.vbe, -4.5)
test.assert_almost_equal(CdS.vbe, -5.9)
CdS_AlSb = CoreShellParticle(CdS, AlSb, 5, 3)
AlSb_CdS = CoreShellParticle(AlSb, CdS, 5, 3)
assert CdS_AlSb.type_two, "CdS/AlSb is is a type 2 QD"
assert CdS_AlSb.e_h, "CdS/AlSb should be e-h core-shell."
assert AlSb_CdS.type_two, "AlSb/CdS is is a type 2 QD"
assert AlSb_CdS.h_e, "AlSb/CdS should be h-e core-shell."
print(CdS_AlSb.ue)
print(CdS_AlSb.calculate_wavenumbers())
# print(CdS_AlSb.calculate_s1_energies())
# s1_e_CdS_AlSb, s1_h_CdS_AlSb = CdS_AlSb.calculate_s1_energies()
# print("S1 energy:", s1_e_CdS_AlSb)
# ke, qe = CdS_AlSb.calculate_wavenumbers()
# print("Electron wavevector in core and shell:", ke, qe)
""" x, dx = np.linspace(1e-14, 10, 1000, retstep=True)
wf = CdS_AlSb.plot_electron_wavefunction(x, ke, qe)
plt.plot(x, wf * wf)
plt.show()
print(CdS_AlSb.cmat.m_e, CdS_AlSb.smat.m_e)
cme, sme = CdS_AlSb.cmat.m_e, CdS_AlSb.smat.m_e
plt.plot(x, np.gradient(wf, dx) * np.where(x < CdS_AlSb.core_width, 1, 4))
# plt.xlim(4.8, 5.2)
plt.show() """