Electronic structure and magnetic properties of selected lanthanide and actinide intermetallic Laves-phase alloys

Olle Eriksson, Börje Johansson, M. S. S. Brooks, Hans Lomholt Skriver

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Abstract

The electronic structure and magnetic properties of some yttrium and uranium Laves-phase pseudobinary alloys with 3d elements have been calculated. The calculations were done by simulating the electronic structure of the alloy by that of an ordered compound with the same stoichiometry. In general a good agreement between the experimental and theoretical magnetic moment was found, indicating that the spurious long-range order of the calculations is of minor importance. A comparison between the present supercell cluster approach and the virtual-crystal approximation for the electronic structure and cohesive properties is presented for Y(Fe0.75Co0.25)2 and U(Fe0.5Ni0.5)2.
Original languageEnglish
JournalPhysical Review B
Volume40
Issue number14
Pages (from-to)9519-9528
ISSN2469-9950
DOIs
Publication statusPublished - 1989

Bibliographical note

Copyright (1989) by the American Physical Society.

Cite this

Eriksson, Olle ; Johansson, Börje ; Brooks, M. S. S. ; Skriver, Hans Lomholt. / Electronic structure and magnetic properties of selected lanthanide and actinide intermetallic Laves-phase alloys. In: Physical Review B. 1989 ; Vol. 40, No. 14. pp. 9519-9528.
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abstract = "The electronic structure and magnetic properties of some yttrium and uranium Laves-phase pseudobinary alloys with 3d elements have been calculated. The calculations were done by simulating the electronic structure of the alloy by that of an ordered compound with the same stoichiometry. In general a good agreement between the experimental and theoretical magnetic moment was found, indicating that the spurious long-range order of the calculations is of minor importance. A comparison between the present supercell cluster approach and the virtual-crystal approximation for the electronic structure and cohesive properties is presented for Y(Fe0.75Co0.25)2 and U(Fe0.5Ni0.5)2.",
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Electronic structure and magnetic properties of selected lanthanide and actinide intermetallic Laves-phase alloys. / Eriksson, Olle; Johansson, Börje; Brooks, M. S. S.; Skriver, Hans Lomholt.

In: Physical Review B, Vol. 40, No. 14, 1989, p. 9519-9528.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Electronic structure and magnetic properties of selected lanthanide and actinide intermetallic Laves-phase alloys

AU - Eriksson, Olle

AU - Johansson, Börje

AU - Brooks, M. S. S.

AU - Skriver, Hans Lomholt

N1 - Copyright (1989) by the American Physical Society.

PY - 1989

Y1 - 1989

N2 - The electronic structure and magnetic properties of some yttrium and uranium Laves-phase pseudobinary alloys with 3d elements have been calculated. The calculations were done by simulating the electronic structure of the alloy by that of an ordered compound with the same stoichiometry. In general a good agreement between the experimental and theoretical magnetic moment was found, indicating that the spurious long-range order of the calculations is of minor importance. A comparison between the present supercell cluster approach and the virtual-crystal approximation for the electronic structure and cohesive properties is presented for Y(Fe0.75Co0.25)2 and U(Fe0.5Ni0.5)2.

AB - The electronic structure and magnetic properties of some yttrium and uranium Laves-phase pseudobinary alloys with 3d elements have been calculated. The calculations were done by simulating the electronic structure of the alloy by that of an ordered compound with the same stoichiometry. In general a good agreement between the experimental and theoretical magnetic moment was found, indicating that the spurious long-range order of the calculations is of minor importance. A comparison between the present supercell cluster approach and the virtual-crystal approximation for the electronic structure and cohesive properties is presented for Y(Fe0.75Co0.25)2 and U(Fe0.5Ni0.5)2.

U2 - 10.1103/PhysRevB.40.9519

DO - 10.1103/PhysRevB.40.9519

M3 - Journal article

VL - 40

SP - 9519

EP - 9528

JO - Physical Review B (Condensed Matter and Materials Physics)

JF - Physical Review B (Condensed Matter and Materials Physics)

SN - 1098-0121

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