Please help with runtime KeyError message with SiGe np junction diode input

[amal banerjee]

The following error messages were printed out with a SiGe np diode input file(please

check attachment.

INFO Aestimo 1D is starting...
INFO Inputfile is <directory path>/estimo-3.0.0/examples/sample_pnSiGe.py
INFO Total layer number: 2
INFO Total number of materials in database: 27
Traceback (most recent call last):
  File "<directory path>/aestimo-3.0.0/aestimo.py", line 5125, in <module>
    run_aestimo(inputFile)
  File "<directory path>/aestimo-3.0.0/aestimo.py", line 5015, in run_aestimo
    model = StructureFrom(input_obj, database)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "<directory path>/aestimo-3.0.0/aestimo.py", line 1285, in __init__
    self.create_structure_arrays()
  File "<directory path>/lamaeejrenab/aestimo-3.0.0/aestimo.py", line 266, in create_structure_arrays
    a0_sub[startindex:finishindex] = matprops["a0_sub"] * 1e-10
                                     ~~~~~~~~^^^^^^^^^^
KeyError: 'a0_sub'

[h.h...@yahoo.fr]

Hello,

correct your sample file like the attached file and also add "_sub" to "a0"  to become "a0_sub" in the Ge database section. changes to the database are made in Git Hub.

try to input updated values for Ge material in the database. 

'Ge':{

'm_e':1.59,

'm_hh':0.33,

'm_lh':0.043,

'epsilonStatic':10.06,

'Eg':0.661,

'Ep':21.1,

'F':-0.48,

'Band_offset':0.53,

'm_e_alpha':0.0,

'GA1':3.45,

'GA2':0.68,

'GA3':1.29, 

'C11':12.60,

'C12':4.4,

'C44':6.77,

'a0':5.658,

'a0_sub':5.6570, # Just added as near value of a0 

'Ac':-5.64,

'Av':2.47,

'B':-1.5,

'delta':0.28,

'TAUN0':0.1E-6,

'TAUP0':0.1E-6,

'mun0':0.15,

'mup0':0.1,

'Cn0':2.8e-31,# generation recombination model parameters [cm**6/s]

'Cp0':2.8e-32,# generation recombination model parameters [cm**6/s]

'BETAN':2.0,

'BETAP':1.0,

'VSATN':3e5,# Saturation Velocity of Electrons

'VSATP':6e5, # Saturation Velocity of Holes

'AVb_E':-6.35#Average Valence Band Energy or the absolute energy level

Regards

Hamza

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