LOCAL ELECTRONIC STRUCTURE OF AMORPHOUS ALLOYS Ni-P AND Pd-Ni-P
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Abstract
SCF-SW-Xα method has been used to calculate the electronic structure of Ni4P and Pd2Ni2P clusters, to simulate the local electronic structure of Ni80P20 and Pd40Ni40P20 glasses respectively. It can be concluded that the rigid band-charge transfer model is not suitable for these systems.
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References
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