def main():
from materials import CZTS, Cu, Zn, Sn, S8
import numpy as np
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) +
0.5*S8.mu_kJ(T,P)
)
D_mu_label = '$\Delta G_f$ / kJ mol$^{-1}$'
scale_range = [-380,-240]
plot_potential(T,P,D_mu,D_mu_label,scale_range, filename='plots/DG_CZTS_S8.png')
def main():
from materials import CZTS, Cu2S_low, ZnS_zincblende, 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) - (Cu2S_low.mu_kJ(T,P) +
ZnS_zincblende.mu_kJ(T,P) +
Sn.mu_kJ(T,P) +
S2.mu_kJ(T,P) )
D_mu_label = '$\Delta G_f$ / kJ mol$^{-1}$'
scale_range = [-300,100]
plot_potential(T,P,D_mu,D_mu_label,scale_range, filename='plots/DG_CZTS_SnS2.png')