MATERIALS TRANSACTIONS
Online ISSN : 1347-5320
Print ISSN : 1345-9678
ISSN-L : 1345-9678
Electronic Structure of Ni3AlXy (X=B, C, H; 0<y<1)
Izumi Hase
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2006 Volume 47 Issue 3 Pages 475-477

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Abstract

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.

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© 2006 The Japan Institute of Metals and Materials
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