aestimosolver / aestimo

Aestimo 1D Schrödinger-Poisson Solver
https://aestimosolver.github.io
GNU General Public License v3.0
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Adding dielectrics like Silicon Nitride #28

Closed dschipp closed 3 years ago

dschipp commented 3 years ago

I would love when some dielectrics like Silicon Nidtride would be added. I struggle with adding materials to the database.

h-hebal commented 3 years ago

Duplicate one set of material inputs in database and start changing it with corresponding values to "Si3N4" 'Si3N4':{ 'm_e':0.22, 'm_e_alpha':5.3782e18, 'm_hh':1.2, 'm_lh':0.8, 'm_so':0.5, 'epsilonStatic':10.464, 'Eg':6.28, 'Bowing_param':0.0, 'Band_offset':0.55, 'A1':-3.95, 'A2':-0.27, 'A3':3.68, 'A4':-1.84, 'A5':-1.92, 'A6':-2.91, 'D1':-0.89, 'D2':4.27, 'D3':5.18, 'D4':-2.59, 'D5':-4, 'D6':3.4, 'Ac':-7.17, 'a0_wz':3.112, 'C11':39.6, 'C12':14, 'C13':10.8, 'C33':37.7, 'C44':11.6, 'D15':-2.0e-12,#−2.069e-12 −4.08e-12 'D31':-2.650e-12,#−2.298e-12 −2.65e-12 'D33':5.53e-12,#5.352e-12 5.53e-12 'Psp':-0.081,#-0.081 −0.09 'delta_so':0.019,#20.4mev 'delta_cr':-0.164,#−58.5mev 'a0_sub':3.189, 'TAUN0':0.1E-7,# Electron SRH life time 'TAUP0':0.1E-7,# Hole SRH life time 'mun0':0.1,# Electron Mobility in m2/V-s 'mup0':0.02,# Electron Mobility in m2/V-s 'Cn0':2.8e-31,# generation recombination model parameters [cm6/s] 'Cp0':2.8e-32,# generation recombination model parameters [cm6/s] 'BETAN':0.45,# Parameter in calculatation of the Field Dependant Mobility 'BETAP':0.45,# Parameter in calculatation of the Field Dependant Mobility 'VSATN':3e5,# Saturation Velocity of Electrons 1.5e5 'VSATP':6e5 , # Saturation Velocity of Holes 'AVb_E':-3.44#Average Valence Band Energy or the absolute energy level 1.5e5 },