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QuantumATK => General Questions and Answers => Topic started by: jcj on May 17, 2017, 13:04

Title: IV for the doped system
Post by: jcj on May 17, 2017, 13:04

Dear All,

I am trying to calculate the IV curve for a DOPED system. With the script below, the output gives me the results of a UN-DOPED system. For example, the transmission@0V_undoped is identical to the transmission@0V_doped. Should I add more codes to get the IV for a doped system?

Thanks for the help.

Note: /device/doping/device.nc is from the doped calculation.


path = u'/device/doping/device.nc'
configuration = nlread(path, object_id='gID000')[0]

# -------------------------------------------------------------
# IV Curve
# -------------------------------------------------------------
biases = [0.000000, 0.200000, 0.400000, 0.600000, 0.800000, 1.000000,
          1.200000, 1.400000, 1.600000, 1.800000, 2.000000]*Volt

iv_curve = IVCurve(
    configuration=configuration,
    biases=biases,
    energies=numpy.linspace(-2,2,101)*eV,
    self_energy_calculator=RecursionSelfEnergy(),
    energy_zero_parameter=AverageFermiLevel,
    infinitesimal=1e-06*eV,
    selfconsistent_configurations_filename_prefix="ivcurve_selfconsistent_configuration_",
    log_filename_prefix="ivcurve_"
    )
nlsave('analysis.nc', iv_curve)
nlprint(iv_curve)

Title: Re: IV for the doped system
Post by: Jess Wellendorff on May 17, 2017, 14:07

No, it should not be necessary to adapt the IVCurve analysis object itself.