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Code Phyton

This Python code uses a Lorentz-Drude model to calculate the dielectric function of a material over a range of photon energies. It fits the model to 5 oscillators, then calculates and plots the real and imaginary parts of the dielectric function, as well as the refractive index and extinction coefficient as a function of photon energy and wavelength. The results are also output to a text file.

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Israel Alves
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45 views2 pages

Code Phyton

This Python code uses a Lorentz-Drude model to calculate the dielectric function of a material over a range of photon energies. It fits the model to 5 oscillators, then calculates and plots the real and imaginary parts of the dielectric function, as well as the refractive index and extinction coefficient as a function of photon energy and wavelength. The results are also output to a text file.

Uploaded by

Israel Alves
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as TXT, PDF, TXT or read online on Scribd
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# -*- coding: utf-8 -*-

# Author: Mikhail Polyanskiy


# Last modified: 2017-04-02
# Original data: Rakić et al. 1998, https://doi.org/10.1364/AO.37.005271

import numpy as np
import matplotlib.pyplot as plt

# Lorentz-Drude (LD) model parameters


ωp = 9.03 #eV
f0 = 0.760
Γ0 = 0.053 #eV

f1 = 0.024
Γ1 = 0.241 #eV
ω1 = 0.415 #eV

f2 = 0.010
Γ2 = 0.345 #eV
ω2 = 0.830 #eV

f3 = 0.071
Γ3 = 0.870 #eV
ω3 = 2.969 #eV

f4 = 0.601
Γ4 = 2.494 #eV
ω4 = 4.304 #eV

f5 = 4.384
Γ5 = 2.214 #eV
ω5 = 13.32 #eV

Ωp = f0**.5 * ωp #eV

def LD(ω): #ω: eV


ε = 1-Ωp**2/(ω*(ω+1j*Γ0))
ε += f1*ωp**2 / ((ω1**2-ω**2)-1j*ω*Γ1)
ε += f2*ωp**2 / ((ω2**2-ω**2)-1j*ω*Γ2)
ε += f3*ωp**2 / ((ω3**2-ω**2)-1j*ω*Γ3)
ε += f4*ωp**2 / ((ω4**2-ω**2)-1j*ω*Γ4)
ε += f5*ωp**2 / ((ω5**2-ω**2)-1j*ω*Γ5)
return ε

ev_min=0.2
ev_max=5
npoints=200
eV = np.logspace(np.log10(ev_min), np.log10(ev_max), npoints)
μm = 4.13566733e-1*2.99792458/eV
ε = LD(eV)
n = (ε**.5).real
k = (ε**.5).imag

#============================ DATA OUTPUT =================================


file = open('out.txt', 'w')
for i in range(npoints-1, -1, -1):
file.write('\n {:.4e} {:.4e} {:.4e}'.format(μm[i],n[i],k[i]))
file.close()
#=============================== PLOT =====================================
plt.rc('font', family='Arial', size='14')

plt.figure(1)
plt.plot(eV, -ε.real, label="-ε1")
plt.plot(eV, ε.imag, label="ε2")
plt.xlabel('Photon energy (eV)')
plt.ylabel('ε')
plt.xscale('log')
plt.yscale('log')
plt.legend(bbox_to_anchor=(0,1.02,1,0),loc=3,ncol=2,borderaxespad=0)

#plot n,k vs eV
plt.figure(2)
plt.plot(eV, n, label="n")
plt.plot(eV, k, label="k")
plt.xlabel('Photon energy (eV)')
plt.ylabel('n, k')
plt.yscale('log')
plt.legend(bbox_to_anchor=(0,1.02,1,0),loc=3,ncol=2,borderaxespad=0)

#plot n,k vs μm
plt.figure(3)
plt.plot(μm, n, label="n")
plt.plot(μm, k, label="k")
plt.xlabel('Wavelength (μm)')
plt.ylabel('n, k')
plt.xscale('log')
plt.yscale('log')
plt.legend(bbox_to_anchor=(0,1.02,1,0),loc=3,ncol=2,borderaxespad=0)

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