Author Topic: Could ATK calculate the "electron density changed with the bias"  (Read 3918 times)

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Offline fangyongxinxi

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Dear Sir,
could we calculate the "electron density drop" as we did in "voltagedrop" by doing
 calculateElectronDensity(finitebias)-calculateElectronDensity(zerobias)
because I hope to know the electron density change with the bias.

Offline fangyongxinxi

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like the difference density which was mentioned here
http://quantumwise.com/forum/index.php?topic=21.0   see the attach

Offline Anders Blom

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Yes, this is certainly possible. There is a minor snag, however. The density object returned from "calculateElectronDensity" does not support the "minus" operation. You can easily get around this, however, with some clever scripting. A solution for this was posted in http://quantumwise.com/forum/index.php?topic=2.0.