Electronic structure and relative stabilities of L12 and D022 ordered structures occuring in transition metal alloys |
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| Authors: | A Bieber F Ducastelle F Gautier G Tréglia P Turchi |
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| Institution: | 1. CRM-CNRS, 6 rue Boussingault, 67083 Strasbourg Cedex, France;2. LMSES (LA 306), 4 rue Blaise Pascal, 67070 Strasbourg Cedex, France;3. ONERA, 29 Avenue de la Division Leclerc, 92320 Chatillon sous Bagneux, France;4. Laboratoire de Physique des Solides, Bât. 510, Université Paris Sud 91405 Orsay, France;5. Laboratoire de Dynamique du Réseau et Ultra-sous, Université Pierre et Marie Curie, Tour 22, 4 Place Jussieu, 75005 Paris, France |
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| Abstract: | It is shown that for transition metal alloys (1) the ordering energies can be determined accurately through the recursion method, (2) a generalized pertubation method, starting from the completely disordered state, is relevant to compute not only ordering energies but also differences in ordering energies i.e. relative stability energies which are smaller by an order of magnitude. As an example the results for the L12 and the D022 ordered structures are discussed. |
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