Title of article
First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater–Pauling rule
Author/Authors
Zhang، نويسنده , , X.M. and Dai، نويسنده , , X.F. and Chen، نويسنده , , G.F. and Liu، نويسنده , , H.Y. and Luo، نويسنده , , H.Z. and Li، نويسنده , , Y. and Wang، نويسنده , , W.H. and Wu، نويسنده , , G.H and Liu، نويسنده , , G.D.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2012
Pages
5
From page
1
To page
5
Abstract
We studied the electronic structure and magnetic properties of Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) by the first-principle calculations. We achieved three half-metallic ferrimagnets (HMFIs) in equilibrium lattice constants and one in a proper lattice distortion. The relationship between their Mt (the molecular magnetic moment) and Zt (the valence concentration) was investigated. It was found that the relationship do not agree with the Slater–Pauling rule. A discussion to Slater–Pauling rule was carried out and an extension form of Slater–Pauling rule for half-metallic Heusler compounds was given.
Keywords
half-metal , Heusler Compound , Ferrimagnetism
Journal title
Computational Materials Science
Serial Year
2012
Journal title
Computational Materials Science
Record number
1689662
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