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MATERIALS TRANSACTIONS
Vol. 47 (2006) No. 3 P 475-477

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http://doi.org/10.2320/matertrans.47.475


The electronic structures of anti-perovskite-type intermetallic compound Ni3AlXy (X=B, C, H; 0<y<1) have been calculated using coherent-potential approximation (CPA) within the local-density approximation (LDA). Ferromagnetic moment in Ni3Al rapidly decreases with increasing y for every dopant X, even though the lattice is more expanded than non-doped Ni3Al.

Copyright © 2006 The Japan Institute of Metals and Materials

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