QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: qnsyhanjiu on April 28, 2011, 14:45
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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?
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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.
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Dear zh
first,the script how to set up about spin-up and spin-down?
This is my structure'script.
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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
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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
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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.
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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?
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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?
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Dear zh,
if when use vnl to computer the I-V,when I setup a bias,I must self again?
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you may create a loop in the script file for the I-V calculation at different bias voltage. See an example demonstrated here:
http://quantumwise.com/documents/tutorials/latest/GrapheneDevice/index.html/chap.current.html#chap.current.sect1.restart
http://quantumwise.com/documents/tutorials/latest/GrapheneDevice/index.html/chap.further.html#chap.further.sect1.both
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http://quantumwise.com/documents/tutorials/latest/GrapheneDevice/index.html/chap.current.html#chap.current.sect1.restart
http://quantumwise.com/documents/tutorials/latest/GrapheneDevice/index.html/chap.further.html#chap.further.sect1.both
hello,
this link is failure, can you send me a new link.
I ues quantumATK is 2018.06-SP1-1
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Please search for relevant information at our new website for documentation, https://docs.quantumwise.com/.