Surfaces that present expansion instead of relaxation?

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    Expansion Surfaces
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SUMMARY

The discussion centers on the phenomenon of surface expansion in solids, specifically referencing Aluminium (111) as an example. Unlike the typical relaxation process observed in solid surfaces, where external layers are closer to the next layer, Aluminium (111) exhibits surface expansion. This behavior is theorized to be linked to the Lennard-Jones potential, which is criticized for its inadequacy in modeling interactions in metals due to its tendency to predict outer-surface relaxation.

PREREQUISITES
  • Understanding of solid-state physics concepts
  • Familiarity with surface science and surface relaxation phenomena
  • Knowledge of the Lennard-Jones potential and its applications
  • Basic principles of crystallography, particularly related to Aluminium (111)
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  • Research the properties of Aluminium (111) and its surface characteristics
  • Study the Lennard-Jones potential and its implications in material science
  • Explore surface science literature on expansion versus relaxation phenomena
  • Investigate computational models used to analyze surface interactions in metals
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Researchers in material science, physicists studying surface phenomena, and engineers working with metal surfaces will benefit from this discussion.

voila
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Since there are no bonds at the other side of the surface, external layers of solids are usually closer to the next layer. This process is called relaxation. (Example in picture a here).

However, at a lecture I attended the other day it was mentioned that some surfaces present expansion, instead of the more common relaxation. I haven't been able to find anything on the topic. Anyone knows about it?
 
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Aluminium (111) is claimed to exhibit surface expansion here and here
 
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Theoretically , I recall that Lennard -Jones potential leads to outer-surface relaxation (i.e. expansion). This is one reason why it was considered a bad interaction potential for metals.
 

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