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Electronic structure and magnetism in transition metal compounds: VNi3, MnPd3and MoPd3

Authors
Journal
Solid State Communications
0038-1098
Publisher
Elsevier
Publication Date
Volume
52
Issue
2
Identifiers
DOI: 10.1016/0038-1098(84)90610-0
Disciplines
  • Physics

Abstract

Abstract The electronic structures of VNi 3, MnPd 3 and MoPd 3 are studied in the paramagnetic phase using the method of orthogonalized linear combination of atomic orbitals. The Stoner criterion is applied to predict magnetic ordering in these compounds. VNi 3 has a very low density of states at the Fermi level and therefore does not satisfy the Stoner criterion for magnetic ordering. This is in agreement with the magnetic susceptibility data. Magnetic ordering predicted for MnPd 3 is in agreement with the observed antiferromagnetic phase transition in this compound. The Stoner criterion is not satisfied for MoPd 3 and no experimental data are available for the ordered phase.

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