QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: baizq on May 21, 2011, 03:37

Title: about specifying magnetization direction for electrodes of a two-probe system
Post by: baizq on May 21, 2011, 03:37

Dear Colleagues,

Can we set the magnetization of electrodes to a specified direction in ATK, say, is it possible to constrain the magenetization parallel to the transport direction of the device?

Alternatively, what is the mechanism embedded in ATK for the simulation of magnetization direction of the electrode? Will the direction automatically converge to the easy axis of the material by the algorithm?

Many thanks!  :)
baizq

Title: Re: about specifying magnetization direction for electrodes of a two-probe system
Post by: zh on May 21, 2011, 17:27

Currently, only the collinear spin density functional theory (DFT) is implemented in ATK. In this stage, it is impossible to constrain the magnetization direction parallel to the transport direction of the device, because the implementation of the non-collinear spin-DFT in ATK is  now in the plan.

Title: Re: about specifying magnetization direction for electrodes of a two-probe system
Post by: baizq on May 21, 2011, 21:03

Well, got it, thanks, zh.
Hope the noncollinear DFT will be realized soon.

baizq