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arXiv 0812.0216cond-mat.mtrl-sci
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Study of phase stability of MnCr using the augmented space recursion based orbital peeling technique

Rudra Banerjee, Abhijit Mookerjee

英文摘要:

In an earlier communication we have developed a recursion based approach to the study of phase stability and transition of binary alloys. We had combined the recursion method introduced by Haydock, Heine and Kelly and the our augmented space approach with the orbital peeling technique proposed by Burke to determine the small energy differences involved in the discussion of phase stability. We extend that methodology for the study of MnCr alloys.

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