BinariesΒΆ
Source:
import os
import sys
from openbandparams import *
import string
#
# Copyright (c) 2013-2014, Scott J Maddox
# Copyright (c) 2025, Duarte Silva
#
# This file is part of openbandparams.
#
# openbandparams is free software: you can redistribute it and/or modify
# it under the terms of the GNU Affero General Public License as published
# by the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# openbandparams is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU Affero General Public License for more details.
#
# You should have received a copy of the GNU Affero General Public License
# along with openbandparams. If not, see <http://www.gnu.org/licenses/>.
#
#############################################################################
# Make sure we import the local openbandparams version
sys.path.insert(0,
os.path.abspath(os.path.join(os.path.dirname(__file__), '../..')))
# Print an unformatted temperature dependent parameters
print('GaAs bandgap (at T = 300 K): ', GaAs.Eg(), 'eV')
print('')
# Print some temperature dependent parameters
print('GaAs bandgap (at T = 300 K): %.3f eV' % GaAs.Eg())
print('GaAs Gamma-valley gap (at T = 300 K): %.3f eV' % GaAs.Eg_Gamma())
print('GaAs X-valley gap (at T = 300 K): %.3f eV' % GaAs.Eg_X())
print('GaAs bandgap (at T = 0 K): %.3f eV' % GaAs.Eg(T=0))
print('InAs bandgap (at T = 300 K): %.3f eV' % InAs.Eg())
print('')
# Print some temperature independent parameter
print('GaAs electron effective mass in'
' the Gamma-valley: %.3f m0' % GaAs.meff_e_Gamma())
print('')
print('GaAs electron effective mass in the X-valley '
'in the longitudinal direction: %.3f m0' % GaAs.meff_e_X_long())
print('GaAs electron effective mass in the X-valley '
'in the transverse direction: %.3f m0' % GaAs.meff_e_X_trans())
print('GaAs electron density-of-states effective mass in'
' the X-valley: %.3f m0' % GaAs.meff_e_X_DOS())
print('')
print('GaAs electron effective mass in the L-valley '
'in the longitudinal direction: %.3f m0' % GaAs.meff_e_L_long())
print('GaAs electron effective mass in the L-valley '
'in the transverse direction: %.3f m0' % GaAs.meff_e_L_trans())
print('GaAs electron density-of-states effective mass in'
' the L-valley: %.3f m0' % GaAs.meff_e_L_DOS())
print('')
print('GaAs heavy-hole effective mass '
'in the [100] direction: %.3f m0' % GaAs.meff_hh_100())
print('GaAs heavy-hole effective mass '
'in the [110] direction: %.3f m0' % GaAs.meff_hh_110())
print('GaAs heavy-hole effective mass '
'in the [111] direction: %.3f m0' % GaAs.meff_hh_111())
print('')
print('GaAs light-hole effective mass '
'in the [100] direction: %.3f m0' % GaAs.meff_lh_100())
print('GaAs light-hole effective mass '
'in the [110] direction: %.3f m0' % GaAs.meff_lh_110())
print('GaAs light-hole effective mass '
'in the [111] direction: %.3f m0' % GaAs.meff_lh_111())
print('')
print('GaAs split-off band effective mass:'
' %.3f m0' % GaAs.meff_SO())
print('')
# Print a table of material lattice parameters and bandgaps
print(' Material | Lattice Param. [Ang] | Bandgap [eV]')
print('------------------------------------------------')
for mat in iii_v_zinc_blende_binaries:
print(str(mat).rjust(7), end=' | ')
try:
a = mat.a()
except:
a = mat.a_300K()
print(f'{a:.3f}'.rjust(12), ' ' * 4, end=' | ')
print('%.3f' % mat.Eg())
Result:
GaAs bandgap (at T = 300 K): 1.4224821428571428 eV
GaAs bandgap (at T = 300 K): 1.422 eV
GaAs Gamma-valley gap (at T = 300 K): 1.422 eV
GaAs X-valley gap (at T = 300 K): 1.899 eV
GaAs bandgap (at T = 0 K): 1.519 eV
InAs bandgap (at T = 300 K): 0.354 eV
GaAs electron effective mass in the Gamma-valley: 0.062 m0
GaAs electron effective mass in the X-valley in the longitudinal direction: 1.300 m0
GaAs electron effective mass in the X-valley in the transverse direction: 0.230 m0
GaAs electron density-of-states effective mass in the X-valley: 0.850 m0
GaAs electron effective mass in the L-valley in the longitudinal direction: 1.900 m0
GaAs electron effective mass in the L-valley in the transverse direction: 0.075 m0
GaAs electron density-of-states effective mass in the L-valley: 0.560 m0
GaAs heavy-hole effective mass in the [100] direction: 0.333 m0
GaAs heavy-hole effective mass in the [110] direction: 0.480 m0
GaAs heavy-hole effective mass in the [111] direction: 0.562 m0
GaAs light-hole effective mass in the [100] direction: 0.094 m0
GaAs light-hole effective mass in the [110] direction: 0.087 m0
GaAs light-hole effective mass in the [111] direction: 0.085 m0
GaAs split-off band effective mass: 0.182 m0
Material | Lattice Param. [Ang] | Bandgap [eV]
------------------------------------------------
AlN | 4.380 | 4.841
GaN | 4.500 | 3.240
InN | 4.980 | 1.916
AlP | 5.467 | 2.488
GaP | 5.450 | 2.273
InP | 5.870 | 1.353
AlAs | 5.661 | 2.164
GaAs | 5.653 | 1.422
InAs | 6.058 | 0.354
AlSb | 6.136 | 1.577
GaSb | 6.096 | 0.727
InSb | 6.479 | 0.174