Band Structure and Magnetic Properties of DO_{3}-Type Fe_{3-x}V_{x}Al Alloys. Super-Cell Approach

• Authors: J. Deniszczyk , W. Borgieł
• Languages of publication: EN

Abstracts

EN

The electronic structure of Fe_{3-x}V_{x}Al alloys was calculated using the super-cell methodology of alloy modeling. The concentration range of x=0.0÷1.0 was investigated. For a concentration of x=0.0625 the energy based analysis reveals that vanadium prefers to replace the Fe atom at sites with the octahedral coordination. It was found that the iron atoms coordinated by the eight nearest-neighbor Fe atoms preserve their high magnetic moment up to a concentration of x=0.9375 even though the average total magnetic moment goes to zero. The relatively high (≃ -1.0μB) negative magnetic moment of V remains constant up to x≃ 0.5. In the concentration range of x=0.75÷0.9375 the gap at ε_{F} of the minority density of states is observed while the majority density of states displays a sharp peak structure at the Fermi energy. This feature suggests the heavy-fermion behavior of the Fe_{2}VAl compound.

Keywords

EN

71.20.Eh; 71.20.-b; 72.15.-v; 72.10.-d

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2000
• Volume: 98
• Issue: 5
• Pages: 551-554

Dates

published

2000-11

Contributors

author

J. Deniszczyk

• Institute of Physics and Chemistry of Metals, Silesian University Bankowa 12, 40-007 Katowice, Poland

author

W. Borgieł

• Institute of Physics, Silesian University, Universytecka 4, 40-007 Katowice, Poland