def main():
from materials import CZTS_kesterite, CZTS_stannite
import numpy as np
from DG_CZTS_S8 import plot_potential
T = np.linspace(100,1500,100) # K
P = np.array( np.logspace(1,7,100),ndmin=2).transpose() # Pa
D_mu = CZTS_stannite.mu_kJ(T,P) - CZTS_kesterite.mu_kJ(T,P)
D_mu_label = '$\Delta G_f$ / kJ mol$^{-1}$'
scale_range = [2,4]
plot_potential(T,P,D_mu,D_mu_label,scale_range, filename='plots/DG_stannite.png', precision="%.1f")
def main():
from materials import Cu2SnS3_mo1, CZTS_kesterite, ZnS
import numpy as np
from DG_CZTS_S8 import plot_potential
T = np.linspace(100,2000,100) # K
P = np.array( np.logspace(1,7,100),ndmin=2).transpose() # Pa
D_mu = CZTS_kesterite.mu_kJ(T,P) - (
Cu2SnS3_mo1.mu_kJ(T,P) + ZnS.mu_kJ(T,P)
)
D_mu_label = '$\Delta G_f$ / kJ mol$^{-1}$'
scale_range = [-10,0]
plot_potential(T,P,D_mu,D_mu_label,scale_range, filename='plots/DG_ternary.png', precision="%.1f")
def main():
from materials import CZTS, Cu2S_low, ZnS_zincblende, SnS2
import numpy as np
from DG_CZTS_S8 import plot_potential
T = np.linspace(100,1500,100) # K
P = np.array( np.logspace(1,7,100),ndmin=2).transpose() # Pa
D_mu = CZTS.mu_kJ(T,P) - (Cu2S_low.mu_kJ(T,P) +
ZnS_zincblende.mu_kJ(T,P) +
SnS2.mu_kJ(T,P)
)
D_mu_label = '$\Delta G_f$ / kJ mol$^{-1}$'
scale_range = [-50,-40]
plot_potential(T,P,D_mu,D_mu_label,scale_range, filename='plots/DG_CZTS_binaries.png', precision="%.1f")
def main():
from materials import CZTS, Cu, Zn, Sn, alpha_S
import numpy as np
from DG_CZTS_S8 import plot_potential
T = np.linspace(100,1500,100) # K
P = np.array( np.logspace(1,7,100),ndmin=2).transpose() # Pa
D_mu = CZTS.mu_kJ(T,P) - (2*Cu.mu_kJ(T,P) +
Zn.mu_kJ(T,P) +
Sn.mu_kJ(T,P) +
4*alpha_S.mu_kJ(T,P)
)
D_mu_label = '$\Delta G_f$ / kJ mol$^{-1}$'
scale_range = [-370,-330]
plot_potential(T,P,D_mu,D_mu_label,scale_range, filename='plots/DG_CZTS_alpha.png')
def main():
from materials import CZTS, Cu, Zn, Sn, S2
import numpy as np
from DG_CZTS_S8 import plot_potential
T = np.linspace(100,1500,100) # K
P = np.array( np.logspace(1,7,100),ndmin=2).transpose() # Pa
D_mu = CZTS.mu_kJ(T,P) - (2*Cu.mu_kJ(T,P) +
Zn.mu_kJ(T,P) +
Sn.mu_kJ(T,P) +
2*S2.mu_kJ(T,P)
)
D_mu_label = '$\Delta G_f$ / kJ mol$^{-1}$'
scale_range = [-650,50]
plot_potential(T,P,D_mu,D_mu_label,scale_range, filename='plots/DG_CZTS_S2.png')
def main():
from materials import CZTS_kesterite, CZTS_stannite
import numpy as np
from DG_CZTS_S8 import plot_potential
T = np.linspace(100, 1500, 100) # K
P = np.array(np.logspace(1, 7, 100), ndmin=2).transpose() # Pa
D_mu = CZTS_stannite.mu_kJ(T, P) - CZTS_kesterite.mu_kJ(T, P)
D_mu_label = '$\Delta G_f$ / kJ mol$^{-1}$'
scale_range = [2, 4]
plot_potential(T,
P,
D_mu,
D_mu_label,
scale_range,
filename='plots/DG_stannite.png',
precision="%.1f")
def main():
from materials import Cu2SnS3_mo1, CZTS_kesterite, ZnS
import numpy as np
from DG_CZTS_S8 import plot_potential
T = np.linspace(100, 2000, 100) # K
P = np.array(np.logspace(1, 7, 100), ndmin=2).transpose() # Pa
D_mu = CZTS_kesterite.mu_kJ(
T, P) - (Cu2SnS3_mo1.mu_kJ(T, P) + ZnS.mu_kJ(T, P))
D_mu_label = '$\Delta G_f$ / kJ mol$^{-1}$'
scale_range = [-10, 0]
plot_potential(T,
P,
D_mu,
D_mu_label,
scale_range,
filename='plots/DG_ternary.png',
precision="%.1f")