Surface energies of fcc metals

 

 

Surface energies are important since their knowledge can help to predict crystal growth, faceting, roughening etc. Despite their importance the experimental determination is rather difficult.

 

Using ab-initio calculations of the electronic structure we can predict the surface energies. For the fcc metals our calculations show that in good approximation the surface energies can be predicted by just counting the broken bonds to create the surface.

 

In the figure we show the surface energies for different surfaces and different fcc metals. The horizontal lines give us the broken bond rule. Points are the ab-initio calculated energies.

 

Literature: É. Galanakis, N. Papanikolaou, P.H. Dederichs  Surf. Sci.511, 1 (2002))

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