[Wien] Magnetic moment for AFM configuration

[Laurence Marks]

Is the chemisorption antiferromagnetic?

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Jan 24, 2012 8:42 PM, "Jianguang Wang" <jw33293 at gmail.com> wrote:

> Because the substrate was set as an anti-ferromagnetic (AFM)
> configuration,
> the total spin magnetic moment should be zero.
> Thanks.
>
>
> On Tue, Jan 24, 2012 at 5:02 PM, Laurence Marks <L-marks at northwestern.edu>wrote:
>
>> Why should it be zero at a surface with chemisorption? Nothing I know
>> of says that it has to be.
>>
>> 2012/1/24 Jianguang Wang <jw33293 at gmail.com>:
>> >
>> > Dear Wien users,
>> >
>> >  I am studying the chemisorption on an anti-ferromagnetic
>> > surface (up-spin and down-spin ) using WIEN2K and a temperature
>> > smearing . But the total magnetic moment is substantial (non-zero). Why
>> is
>> > that?
>> > A perfect AFM material should give a zero total moment.
>> >
>> >
>> > Thanks for the info!
>> >
>> >
>> >
>> > WJG
>> >
>> >
>> >
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>> >
>>
>>
>>
>> --
>> Professor Laurence Marks
>> Department of Materials Science and Engineering
>> Northwestern University
>> www.numis.northwestern.edu 1-847-491-3996
>> "Research is to see what everybody else has seen, and to think what
>> nobody else has thought"
>> Albert Szent-Gyorgi
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>
>
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