Messages

1

General Questions and Answers / Re: About charged electrodes

« on: August 10, 2012, 23:43 »

Thanks. The problem is solved.

2

General Questions and Answers / About charged electrodes

« on: August 8, 2012, 08:23 »

Hi QuantumWise,

I used ATK 12.2.2. to calculate a device with two identical electrodes, but I made the two electrodes charged different as follows.

left_electrode_calculator = HuckelCalculator(
    numerical_accuracy_parameters=left_electrode_numerical_accuracy_parameters,
    iteration_control_parameters=left_electrode_iteration_control_parameters,
    poisson_solver=left_electrode_poisson_solver,
    charge=0.03
    )

right_electrode_calculator = HuckelCalculator(
    numerical_accuracy_parameters=right_electrode_numerical_accuracy_parameters,
    iteration_control_parameters=right_electrode_iteration_control_parameters,
    poisson_solver=right_electrode_poisson_solver,
    charge= -0.03
    )

I wish to realize p/n type doping for left/right electrode. 
However, when finished the calculation of the left electrode, the calculation log said :'Reuse the left electrode for the right electrode'. And the I-V curve turned out to be the same under forward bias and reverse bias.  I also used DFT and change the value of charge, but it still only calculated the left one and reused it for the right one. Was there something wrong in my script?  Thanks for your answer!