Abstract
By using the full potential linearized augmented plane wave method, the structural, electronic and magnetic properties of the c(2 × 2)- Sn Ni(001) surface alloy system have been determined. Interestingly, the presence of Sn atoms drastically reduces th of the density of states at E F and almost completely removes the magnetic moment of the topmost Ni atom. Thus the magnetic and chemical properties of the alloyed Ni(001) surface should be strongly altered. We found that the Sn atoms ripple by 0.36 Å over the Ni atoms in the surface plane, which agrees well with the measured value, 0.44±0.05 A ̊ .
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