Source:
#
# Copyright (c) 2013-2014, Scott J Maddox
#
# 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
import os
import sys
sys.path.insert(0,
os.path.abspath(os.path.join(os.path.dirname(__file__), '../..')))
from openbandparams import *
import matplotlib.pyplot as plt
import numpy
T = 300
# initialize the plot
fig = plt.figure()
ax = fig.add_subplot(111)
plt.xlabel('Strained Lattice Parameter at %g K ($\AA$)' % T)
plt.ylabel('Strained Bandgap at %g K (eV)' % T)
# plot the binaries
x = []
y = []
label = []
for b in [AlP, GaP, InP,
AlAs, GaAs, InAs,
AlSb, GaSb, InSb]:
x.append(b.a(T=T))
y.append(b.Eg(T=T))
label.append(b.name)
ax.plot(x, y, 'k.')
# label the binaries
for x, y, label in zip(x, y, label):
ax.annotate(label, xy=(x, y), xytext=(5, 5), ha='left', va='bottom',
bbox=dict(linewidth=0, fc='white', alpha=0.9),
textcoords='offset points')
# plot the strained binaries
first = True
eps_xx = numpy.linspace(-0.02, 0.02, 100)
for b in [AlP, GaP, InP,
AlAs, GaAs, InAs,
AlSb, GaSb, InSb]:
a_strained = [b.biaxial_strained_a0(eps_xx=eps_xx_) for eps_xx_ in eps_xx]
E_c_hh = [b.biaxial_strained_E_c_hh(eps_xx=eps_xx_) for eps_xx_ in eps_xx]
E_c_lh = [b.biaxial_strained_E_c_lh(eps_xx=eps_xx_) for eps_xx_ in eps_xx]
if first:
plt.plot(a_strained, E_c_hh, 'r-', label='CB-HH gap')
plt.plot(a_strained, E_c_lh, 'g-', label='CB-LH gap')
first = False
else:
plt.plot(a_strained, E_c_hh, 'r-')
plt.plot(a_strained, E_c_lh, 'g-')
plt.legend(loc='best')
if __name__ == '__main__':
import sys
if len(sys.argv) > 1:
output_filename = sys.argv[1]
plt.savefig(output_filename)
else:
plt.show()
Result: