Hi everybody
I am trying to create a 111 surface from an fcc lattice structure. I can do 100 and 110 easily but in 111 things get tough for me because the unit shell is cannot be orthogonal (Y-X=60 degrees). Can someone make a suggestion on how to obtain the correct coordinates of the atoms in that case?
Manos
111 surface of an fcc structure
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smanos
111 surface of an fcc structure
Last edited by smanos on Tue Nov 06, 2012 2:08 pm, edited 1 time in total.
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maartendft
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111 surface of an fcc structure
Hint: you can compute the distance between (111) planes from a/sqrt(h^2+k^2+l^2). Also, fcc has stacking sequence ABCABCABC and you can look up the relative displacements of atoms on adjacent (111) planes.
Last edited by maartendft on Wed Nov 14, 2012 3:05 am, edited 1 time in total.