QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: nanomtj on March 11, 2011, 21:00

Title: query regarding bandstructure simulation
Post by: nanomtj 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)..?? ???

Title: Re: query regarding bandstructure simulation
Post by: zh on March 12, 2011, 10:34

You can combine the projected DOS with the band structure to analyze the character of band.