[Wien] Whether the concentration will change?
Stefaan.Cottenier at fys.kuleuven.ac.be
Sat Jan 3 22:42:47 CET 2004
> Whether the change from the supercell of 54 atoms to the supercell
> of 76 atoms will affect the doping concentration?
This should be easy to figure out yourself:
If you have 1 impurity atom in yout 54-atom supercell, then the doping
concentration is 1/54 = 1.9%. If you increase the volume of your
supercell by a factor of sqrt(2), and if you keep 1 impurity, then the
concentration is 1/76 = 1.3%. If you would take 2 impurities in this
larger cell, your concentration is 2/76 = 2.6%. The number of
impurities in the supercell is something you decide yourself.
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