[Pw_forum] magnetic interaction

[kajal jindal]

Hi,

Thanks for ur previous reply, but i think this will work if the two atoms
considered are of different types. Actually i m working on ZnO and I am
substituting two O atoms with two N atoms and hence ,want to consider the
magnetic interaction between them..So how to proceed in that case coz I have
to consider ferromagnetic and antiferromagnetic spin alignments for the two
N atoms only..

Thanks,

sincerely,
Miss Kajal
(UTA)(University of Delhi)


On Wed, Nov 4, 2009 at 1:39 PM, Mighfar Imam <mighfar at jncasr.ac.in> wrote:

> You can specify equal but opposite (-ve) values of
> starting_magnetization(i) for the two atoms to cosider antiferromagnetic
> interaction.
>
>
> Mighfar Imam
> PhD Student,
> Theoretical Sciences Unit,
> Jawaharlal Nehru Center for
> Advanced Scientific Research,
> Jakkur, Bangalore-64, India.
> Ph.(Lab.) +91 -(80) 22082835
> Cell: +919480336087
>
>
> kajal jindal
> > Hi,
> >
> > I am trying to study the magnetic interaction between two atoms...and I
> > want
> > to  determine the stability of the ferromagnetic versus antiferromagnetic
> > state..So for this,  I need to calculate the total energies corresponding
> > to
> > both ferromagnetic and antiferromagnetic spin alignments...So.can anyone
> > guide me how to calculate the energy by specifying the spin alignments..?
> >
> > sincerely,
> > Miss Kajal
> > (UTA)(University of Delhi)
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>
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