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Accurate density-functional calculations are performed to investigate the formation of Ti and Fe ultrathin alloys on Al(001) surface. It is demonstrated that a deposition of Ti monolayer on Al(001) substrate leads to the formation of Al 3 Ti surface alloy with Ti atoms arranged according to the L1 2 stacking, distinct from the D0 22 structure characteristic of a bulk Al ...
The stabilization of the growth of near-perfect Fe layers on Al(001) by the deposition of a Ti interface layer has been investigated using ab-initio density-functional method. We find that Ti deposition on Al(001) leads to the formation of an Al 3 Ti surface alloy with strong Al–Ti and Ti–Ti bonds and hence an increased stiffness of the surface. As a consequence, a barrier against diffusion...
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