We have calculated the electronic structure for and within first principles electronic structure calculations. We find that the experimentally observed ferromagnetic state is favoured in the case of while our calculations also suggest that no state with long range magnetic order will be stabilised for Mapping the total energies for different magnetic configurations to an extended Heisenberg model, we find that a localized spin model is found to be invalid to describe the magnetic state of these systems.
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© 2008 American Institute of Physics.
2008
American Institute of Physics
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