Author Topic: how to plot the spin up or spin down I-V ?  (Read 2536 times)

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Offline qnsyhanjiu

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how to plot the spin up or spin down I-V ?
« on: April 28, 2011, 14:45 »
Dear :everyone
In the atk2008.10,when I plot the I-V(spin up or spin down),I can plot a value at a time,how can I plot many values at a time?

Offline zh

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Re: how to plot the spin up or spin down I-V ?
« Reply #1 on: April 30, 2011, 15:45 »
When the data for I-V of spin-up and spin-down are printed out in the following format:
#bias_voltage     I (spin-up)     I(spin-down)
   ...                          ...                      ...
   ...                          ...                      ...
   ...                          ...                      ...
i.e., the first column is listed for the bias voltage, the second and third columns are listed for the current of spin-up and spin-down, respectively.  With the above format, the I-V curve can be plotted in a same figure.

Offline qnsyhanjiu

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Re: how to plot the spin up or spin down I-V ?
« Reply #2 on: May 1, 2011, 04:47 »
Dear zh
       first,the script how to set up about spin-up and spin-down?
 This is my structure'script.

Offline qnsyhanjiu

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Re: how to plot the spin up or spin down I-V ?
« Reply #3 on: May 1, 2011, 15:55 »
Dear zh:
         when I computer the I-V,whatever I set the V ,the I is 0,why?This is my script.This is I set the V is 0.2
     

Offline zh

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Re: how to plot the spin up or spin down I-V ?
« Reply #4 on: May 2, 2011, 02:37 »
Dear zh:
         when I computer the I-V,whatever I set the V ,the I is 0,why?This is my script.This is I set the V is 0.2
     

Besides the setup of initial spin for each atom, a spin-polarized exchange-correlation potential should be explicitly chosen. A related topic was discussed below:
http://quantumwise.com/forum/index.php?topic=1144.0

Offline zh

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Re: how to plot the spin up or spin down I-V ?
« Reply #5 on: May 2, 2011, 02:44 »
         when I computer the I-V,whatever I set the V ,the I is 0,why?This is my script.This is I set the V is 0.2

This may be due to a larger band-gap (or HOMO-LUMO gap) for the Fe2COT3 in your two-probe system.  In such case, you should try a larger bias voltage. You can calculate the DOS or transmission spectra at the zero bias to check it.


Offline qnsyhanjiu

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Re: how to plot the spin up or spin down I-V ?
« Reply #6 on: May 2, 2011, 08:48 »
Dear zh,
I can not understand very much, if I can add bias setup in the electrode, when I coputer the mannle 2001.10 lih2li,when use the script ,the I-V is right,but use the vnl to setup,and computer in the atk,the I is 0,whatever the v is,also ,to the Fe2COT3,I can other computer the V is not 0,but I use the vnl setup ,the I is 0,why?

Offline qnsyhanjiu

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Re: how to plot the spin up or spin down I-V ?
« Reply #7 on: May 2, 2011, 10:05 »
Dear zh
           if because the unit is A,the I is two small ,so not to display? if so ,how I to alter the unit? su as μA? 

Offline qnsyhanjiu

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Re: how to plot the spin up or spin down I-V ?
« Reply #8 on: May 2, 2011, 13:08 »
Dear zh,
         if when use vnl to computer the I-V,when I setup a bias,I must self again?

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Offline Petr Khomyakov

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Re: how to plot the spin up or spin down I-V ?
« Reply #11 on: December 4, 2019, 09:28 »
Please search for relevant information at our new website for documentation, https://docs.quantumwise.com/.