QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: HouChaojian on May 15, 2014, 13:53

Title: Simulate I-V Curve
Post by: HouChaojian on May 15, 2014, 13:53

I want to simulate the I-V at different bias, how to set electrode voltage. There are two places for voltage in calculator and I-V Curve. I don’t know which to choose. What is the difference between the two choices!

 

Title: Re: Simulate I-V Curve
Post by: Anders Blom on May 16, 2014, 00:07

The difference is just the in one case you specific a specific bias, to calculate the current for a particular bias, while in the other you set it up for a sequence of voltages, to get a whole I-V curve.

Title: Re: Simulate I-V Curve
Post by: HouChaojian on May 16, 2014, 02:16

OK, I get it! if I want to get current in a special bias, only set the Left electrode voltage and Right electrode voltage in the calculators;But if I want to get current in a series of bias,set the voltage bias in the IV Curve.

If I only want to get  get current in a special bias, first I set the voltage in in the calculators;So  where will I get the results? Also choose in analysis?
Thank you

Title: Re: Simulate I-V Curve
Post by: Anders Blom on May 16, 2014, 11:16

I suggest you follow a few of our tutorial to learn the basic workflow, then these points should be clear.

Title: Re: Simulate I-V Curve
Post by: HouChaojian on June 6, 2014, 02:06

Hi:
 I have got the result in -0.4V-0.4V and -1V-1V by ATK-DFT.But when I set up the voltage either -1.5V-1.5V  or -2V-2V, I find that it is always vibration at the final self-consistent compute. Why?
Thank you!

Title: Re: Simulate I-V Curve
Post by: Anders Blom on June 17, 2014, 03:07

Because it's very difficult to converge the calculation at these biases unless you use a lower bias as starting point, which is what the I-V curve does, or you can do the same thing manually as described here: http://quantumwise.com/publications/tutorials/mini-tutorials/98