QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Sabyasachi Sen on January 10, 2013, 18:01

Title: Assigning spin-polarization of magnetic electrode when molecule is nonmagnetic
Post by: Sabyasachi Sen on January 10, 2013, 18:01

Dear ATK Forum

In a spin-polarized transport calculations involving magnetic electrode (e.g Nickel electrode) and a non-magnetic molecule placed between the two electrodes how can I assign the spin-polarization of the electrode keeping one of the electrode in spin-up state and the other one in spin-down state.

Sabyasachi Sen

Title: Re: Assigning spin-polarization of magnetic electrode when molecule is nonmagnetic
Post by: zh on January 11, 2013, 00:12

please read the manual:
http://quantumwise.com/documents/tutorials/latest/Fe-MgO-Fe/index.html/chap.mgo.anti.html#sect1.mgoanti.antiparallel