Hi,
I'm trying to find Curie temperature of diluted magnetic semiconductor.
So, I've set up a spin-polarized molecular dynamics calculation to get the temperature,
at which magnetic moment of the compound becomes zero. Could anybody tell me,
whether it's a good solution of this problem and is it correct for Tc estimation by VASP?
Curie temperature via molecular dynamics
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VitOldy
Curie temperature via molecular dynamics
Last edited by VitOldy on Sat Jan 06, 2007 5:59 am, edited 1 time in total.
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Curie temperature via molecular dynamics
the magnetic state is not a property of the ionic configuration as accessed by a MD run, therefore it is not a reasonable approach to calculate the Tc that way
Last edited by admin on Tue Jan 16, 2007 1:13 pm, edited 1 time in total.