Abstract
The surface magnetism of the CsCl structured Co binary compounds, CoX (X = Ti, V, Nb) (001) surface was studied with the calculated electronic structure data obtained by the full-potential linearized augmented plane-wave (FLAPW) method. The magnetic moment of the surface Co atom of the Co-terminated CoTi(001) system was 1.19 μB, which is enhanced compared with that of the Co atom in the center layer. The magnetic moment of the surface V atom in the V terminated the CoV(001) system was 1.64 μB, which is more than twice of the center layered V atom. The magnetic moment of surface Co atom in the Co terminated CoV(001) system has the value of 1.34 μB, little bit smaller than the bulk value. The magnetism was disappeared in the Co terminated CoNb(001) system, and the magnetic moment of the surface Nb atom in the Nb terminated CoNb(001) system was 0.26 μB which is little bit decreased compared to the center layer value.
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