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Ab initio study of the CuPd one-dimensional long period superstructure phase diagram

✍ Scribed by Ceder, G.; de Fontaine, D.; Dreysse, H.; Nicholson, D.M.; Stocks, G.M.; Gyorffy, B.L.


Book ID
124116384
Publisher
Elsevier Science
Year
1990
Weight
887 KB
Volume
38
Category
Article
ISSN
0956-7151

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The possible collinear magnetic configurations of the a-and c-Fe phases have been analyzed using the full-potential linearized augmented plane wave (FLAPW) method and the fixed spin moment (FSM) procedure in order to perform total energy and moment calculations, with which the phase stability could