Ab-initio study of giant moment reduction of Fe impurity in dilute Pd0.95V0.05: Proceedings of the 17th International Conference on Magnetism

M.S. Bahramy; S.K. Srivastava; S.N. Mishra; G.P. Das; Y. Kawazoe

doi:10.1016/j.jmmm.2006.10.594

Ab-initio study of giant moment reduction of Fe impurity in dilute Pd0.95V0.05: Proceedings of the 17th International Conference on Magnetism

M.S. Bahramy, S.K. Srivastava, S.N. Mishra, G.P. Das, Y. Kawazoe

Research output: Contribution to journal › Article › peer-review

Abstract

Electronic structure calculations based on density functional theory (DFT) using LSDA+U method are performed in order to investigate the local magnetic behaviour of isolated Fe impurity in dilute Pd0.95V0.05 alloy. The calculations performed for different near neighbour configurations reveal that the giant magnetic moment of Fe in Pd is drastically suppressed in Pd0.95V0.05 mainly due to reduction of the induced ferromagnetic polarization of the host Pd atoms and the development of a negative spin moment on the V atoms. The results are compared with experimental data obtained from γ-ray perturbed angular distribution measurements.

Original language	English
Pages (from-to)	e541-e543
Number of pages	3
Journal	Journal of Magnetism and Magnetic Materials
Volume	310
Issue number	2, Part 2
DOIs	https://doi.org/10.1016/j.jmmm.2006.10.594
Publication status	Published - 2007

Keywords

Giant magnetic moment
Isolated impurity
Dilute alloys
DFT

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10.1016/j.jmmm.2006.10.594

http://www.sciencedirect.com/science/article/pii/S0304885306018130

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title = "Ab-initio study of giant moment reduction of Fe impurity in dilute Pd0.95V0.05: Proceedings of the 17th International Conference on Magnetism",

abstract = "Electronic structure calculations based on density functional theory (DFT) using LSDA+U method are performed in order to investigate the local magnetic behaviour of isolated Fe impurity in dilute Pd0.95V0.05 alloy. The calculations performed for different near neighbour configurations reveal that the giant magnetic moment of Fe in Pd is drastically suppressed in Pd0.95V0.05 mainly due to reduction of the induced ferromagnetic polarization of the host Pd atoms and the development of a negative spin moment on the V atoms. The results are compared with experimental data obtained from γ-ray perturbed angular distribution measurements.",

keywords = "Giant magnetic moment, Isolated impurity, Dilute alloys, DFT",

author = "M.S. Bahramy and S.K. Srivastava and S.N. Mishra and G.P. Das and Y. Kawazoe",

year = "2007",

doi = "10.1016/j.jmmm.2006.10.594",

language = "English",

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T1 - Ab-initio study of giant moment reduction of Fe impurity in dilute Pd0.95V0.05

T2 - Proceedings of the 17th International Conference on Magnetism

AU - Bahramy, M.S.

AU - Srivastava, S.K.

AU - Mishra, S.N.

AU - Das, G.P.

AU - Kawazoe, Y.

PY - 2007

Y1 - 2007

N2 - Electronic structure calculations based on density functional theory (DFT) using LSDA+U method are performed in order to investigate the local magnetic behaviour of isolated Fe impurity in dilute Pd0.95V0.05 alloy. The calculations performed for different near neighbour configurations reveal that the giant magnetic moment of Fe in Pd is drastically suppressed in Pd0.95V0.05 mainly due to reduction of the induced ferromagnetic polarization of the host Pd atoms and the development of a negative spin moment on the V atoms. The results are compared with experimental data obtained from γ-ray perturbed angular distribution measurements.

AB - Electronic structure calculations based on density functional theory (DFT) using LSDA+U method are performed in order to investigate the local magnetic behaviour of isolated Fe impurity in dilute Pd0.95V0.05 alloy. The calculations performed for different near neighbour configurations reveal that the giant magnetic moment of Fe in Pd is drastically suppressed in Pd0.95V0.05 mainly due to reduction of the induced ferromagnetic polarization of the host Pd atoms and the development of a negative spin moment on the V atoms. The results are compared with experimental data obtained from γ-ray perturbed angular distribution measurements.

KW - Giant magnetic moment

KW - Isolated impurity

KW - Dilute alloys

KW - DFT

U2 - 10.1016/j.jmmm.2006.10.594

DO - 10.1016/j.jmmm.2006.10.594

M3 - Article

SN - 0304-8853

VL - 310

SP - e541-e543

JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

IS - 2, Part 2

ER -

Ab-initio study of giant moment reduction of Fe impurity in dilute Pd0.95V0.05: Proceedings of the 17th International Conference on Magnetism

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Keywords

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