Author Topic: query regarding bandstructure simulation  (Read 3283 times)

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Offline nanomtj

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query regarding bandstructure simulation
« on: March 11, 2011, 21:00 »
By using the magnetic tunnel junction builder, i have made a Ni/Al2O3/Ni tunnel junction. There are two cases. As the two Fe layers can have either parallel spin or anti parallel spin alignment, I have simulated Ni(up spin)/Al2O3/Ni(up spin) and then Ni(up spin)/Al2O3/Ni(down spin) separately. I have obtained two separate band structures for the two sets of simulations. How do I identify in the band structure obtained that which region is for Ni(up spin), which region is for Al2O3 and which region is for Ni(up spin)/Ni(down spin)..?? ???

Offline zh

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Re: query regarding bandstructure simulation
« Reply #1 on: March 12, 2011, 10:34 »
You can combine the projected DOS with the band structure to analyze the character of band.