Calculation of chemisorption and absorption induced surface segregation |
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| Authors: | D. Tománek S. Mukherjee V. Kumar K.H. Bennemann |
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| Affiliation: | Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 3, D-1000 Berlin 33, Fed. Rep. of Germany |
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| Abstract: | Using a pair bond type model for the interatomic interactions, we determine surface segregation on clean, H, O and CO covered surfaces of various alloys. Furthermore, we study surface segregation caused by bulk hydrogen absorption. Numerical results are presented for Pdx Zr1?x Hy We find, that strong surface segregation may result from chemisorption of O and CO and from absorption of H in the bulk of an alloy. |
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