Abstract |
In the third part of this study, a theoretical model for the crystal structure of Cr₂N was derived based on the static concentration waves (SCWs) method, and discussed in comparison with other E-type ordering models suggested in Fe-N system. The modified occupation probability function (OPF) for describing the distribution of nitrogen atoms in Cr₂N superstructure was calculated using the superlattice reflections found in the previous study, and could be expressed as: n(r)=c-1/6η₁cos2πz+4/3η₃cos2/3π(x+y+3z). And, this OPF function has four components depending on the distribution of nitrogen atoms within Cr2N superstructure: n₁=c-1/6η₁+4/3η₃,n₂=c+1/6η₁-4/3η₃,n₃=c-1/6η₁-2/3η₃and n₄=c+1/6η₁+2/3η₃. |
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Key Words |
Cr2N superstructure, Static concentration waves (SCWs) method, and Occupation probability function, OPF |
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