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    STUDIA PHYSICA - Issue no. 2 / 2009  

Authors:  V. CRISAN.
  Abstract:  We report on the results of the ab initio calculations on the Co0.95Mn0.05 alloy in chemically disordered state. Calculations are carried out within density-functional theory and the coherent potential approximation (CPA). We show that the magnetic coupling between the Co and Mn atoms are of ferromagnetic (FM) type for large lattice parameters while for lower ones are antiferromagnetic (AF). The coupling between Mn atoms is found to be FM for all lattice parameters. No chemically ordering is seen, all sites in the fcc unit cell being magnetically equivalent. The results are discussed in the framework of the disordered local moment (DLM) model.

Keywords: alloys, transition-metal KKR, CPA, DLM
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