def test_element_fraction(self):
self.assertEqual(GaAs.element_fraction('Ga'), 1.)
self.assertEqual(GaAs.element_fraction('As'), 1.)
self.assertEqual(GaAs.element_fraction('In'), 0.)
self.assertEqual(InAs.element_fraction('Ga'), 0.)
self.assertEqual(InAs.element_fraction('As'), 1.)
self.assertEqual(InAs.element_fraction('In'), 1.)
def test_tensile_biaxial_strained(self):
strain = -0.01 # tensile
unstrained = GaAs
strained = GaAs.strained_001(strain)
self.assert_(strained.strain_out_of_plane() == strain)
self.assert_(strained.strain_in_plane() > 0)
self.assert_(unstrained.a_c() < 0)
self.assert_(unstrained.a_v() < 0)
self.assert_(unstrained.b() < 0)
self.assert_(strained.CBO_strain_shift() < 0)
self.assert_(strained.VBO_hh_strain_shift() < 0)
self.assert_(strained.VBO_lh_strain_shift() > 0)
self.assert_(strained.VBO_strain_shift() > 0)
self.assert_(strained.Eg_strain_shift() < 0)
self.assert_(strained.Eg() < unstrained.Eg())
def test_compressive_biaxial_strained(self):
strain = 0.01 # compressive
unstrained = GaAs
strained = GaAs.strained_001(strain)
self.assertTrue(strained.strain_out_of_plane() == strain)
self.assertTrue(strained.strain_in_plane() < 0)
self.assertTrue(unstrained.a_c() < 0)
self.assertTrue(unstrained.a_v() < 0)
self.assertTrue(unstrained.b() < 0)
self.assertTrue(strained.CBO_strain_shift() > 0)
self.assertTrue(strained.VBO_hh_strain_shift() > 0)
self.assertTrue(strained.VBO_lh_strain_shift() < 0)
self.assertTrue(strained.VBO_strain_shift() > 0)
self.assertTrue(strained.Eg_strain_shift() > 0)
self.assertTrue(strained.Eg() > unstrained.Eg())
def test_Eg_Gamma(self):
self.assertAlmostEqual(GaAs.Eg_Gamma(), 1.42248214286, places=11)
self.assertAlmostEqual(GaAs.Eg_Gamma(T=0), 1.519, places=3)
def test_beta_L(self):
self.assertAlmostEqual(GaAs.beta_L(), 204, places=0)
def test_Eg_L(self):
self.assertAlmostEqual(GaAs.Eg_L(), 1.70696428571, places=11)
self.assertAlmostEqual(GaAs.Eg_L(T=0), 1.815, places=3)
def test_Eg_L_0(self):
self.assertAlmostEqual(GaAs.Eg_L_0(), 1.815, places=3)
def test_alpha_L(self):
self.assertAlmostEqual(GaAs.alpha_L(), 0.000605, places=6)
def test_alpha_X(self):
self.assertAlmostEqual(GaAs.alpha_X(), 0.00046, places=5)
def test_Eg_X(self):
self.assertAlmostEqual(GaAs.Eg_X(), 1.89885714286, places=11)
self.assertAlmostEqual(GaAs.Eg_X(T=0), 1.981, places=3)
def test_Eg(self):
self.assertEqual(AlGaAs(x=0).Eg(), GaAs.Eg())
self.assertEqual(AlGaAs(x=1).Eg(), AlAs.Eg())
def test_Eg_X_0(self):
self.assertAlmostEqual(GaAs.Eg_X_0(), 1.981, places=3)
def test_alpha_Gamma(self):
self.assertAlmostEqual(GaAs.alpha_Gamma(), 0.0005405, places=7)
def test_Eg_Gamma_0(self):
self.assertAlmostEqual(GaAs.Eg_Gamma_0(), 1.519, places=3)
def test_a(self):
self.assertAlmostEqual(GaAs.a(), 5.65325, places=5)
self.assertAlmostEqual(GaAs.a(T=301), 5.65325 + 0.0000388, places=7)
def test_da_dT(self):
self.assertAlmostEqual(GaAs.thermal_expansion(), 0.0000388, places=7)
def test_a_300K(self):
self.assertAlmostEqual(GaAs.a_300K(), 5.65325, places=5)