On the importance of sp-electrons in the surface relaxation of d-band metals |
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Authors: | G.P. Alldredge S.K.S. Ma |
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Affiliation: | Department of Physics, University of Texas, Austin, Texas 78712, USA |
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Abstract: | We present arguments to the effect that the self-consistent smoothing of the mobile sp-electron distribution gives rise to electrostatic forces which are a major contribution to the initial relaxing forces on the outermost ions at a d-band metal surface. Numerical estimates for the (001) face of α-Fe are given, showing that for the surface ions the surface Madelung force from the sp-electrons is inward and about times stronger than an outward short-range force simulating the effect of d-electrons. |
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