Electronic and Magnetic Structure of B.C.C. FeMn Alloys

M. E. Elzain; A. A. Yousif

doi:10.1002/pssb.2221780222

Electronic and Magnetic Structure of B.C.C. FeMn Alloys

M. E. Elzain^*, A. A. Yousif

^*Corresponding author for this work

Physics

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

2 Citations (Scopus)

Abstract

The first principle discrete variational method in the local density approximation is employed to calculate the electronic and magnetic properties of 15‐atom clusters representing b.c.c. FeMn alloys. The occupation numbers and local densities of states are found to be unaffected by alloying in the case of paramagnetic clusters. When spin polarization is included the local magnetic moments at Fe sites are found to depend on the number of neighbouring Mn atoms and the FeMn coupling. The local moment components E_g and T_2g at a site show different orientations. This is explained in terms of coupling T_2g moments to nearest neighbours and of E_g moments to next‐nearest neighbours. The average magnetic moment and hyperfine field were calculated and compared with experimental data.

Original language	English
Pages (from-to)	451-458
Number of pages	8
Journal	physica status solidi (b)
Volume	178
Issue number	2
DOIs	https://doi.org/10.1002/pssb.2221780222
Publication status	Published - Aug 1 1993

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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abstract = "The first principle discrete variational method in the local density approximation is employed to calculate the electronic and magnetic properties of 15‐atom clusters representing b.c.c. FeMn alloys. The occupation numbers and local densities of states are found to be unaffected by alloying in the case of paramagnetic clusters. When spin polarization is included the local magnetic moments at Fe sites are found to depend on the number of neighbouring Mn atoms and the FeMn coupling. The local moment components Eg and T2g at a site show different orientations. This is explained in terms of coupling T2g moments to nearest neighbours and of Eg moments to next‐nearest neighbours. The average magnetic moment and hyperfine field were calculated and compared with experimental data.",

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N2 - The first principle discrete variational method in the local density approximation is employed to calculate the electronic and magnetic properties of 15‐atom clusters representing b.c.c. FeMn alloys. The occupation numbers and local densities of states are found to be unaffected by alloying in the case of paramagnetic clusters. When spin polarization is included the local magnetic moments at Fe sites are found to depend on the number of neighbouring Mn atoms and the FeMn coupling. The local moment components Eg and T2g at a site show different orientations. This is explained in terms of coupling T2g moments to nearest neighbours and of Eg moments to next‐nearest neighbours. The average magnetic moment and hyperfine field were calculated and compared with experimental data.

AB - The first principle discrete variational method in the local density approximation is employed to calculate the electronic and magnetic properties of 15‐atom clusters representing b.c.c. FeMn alloys. The occupation numbers and local densities of states are found to be unaffected by alloying in the case of paramagnetic clusters. When spin polarization is included the local magnetic moments at Fe sites are found to depend on the number of neighbouring Mn atoms and the FeMn coupling. The local moment components Eg and T2g at a site show different orientations. This is explained in terms of coupling T2g moments to nearest neighbours and of Eg moments to next‐nearest neighbours. The average magnetic moment and hyperfine field were calculated and compared with experimental data.

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Electronic and Magnetic Structure of B.C.C. FeMn Alloys

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