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Electronic Structure and Ordering Degree in Fe_3Al Alloy Doped with Transition Metals. Ab Initio Study

100%

Go A., Dobrzyński L.

Acta Physica Polonica A

2012

vol. 121

issue 5-6

1124-1127

Fe_3Al alloy crystallizes in DO_3-type structure. In the perfectly ordered alloy there are two nonequivalent sublattices (A,C) and B, which are occupied by Fe atoms, whereas all D sites are taken by metalloid. Such perfect ordering is, however, difficult to achieve experimentally, and some disorder between B-D as well as (A,C)-D sublattices typically appears in real samples. This disorder modifies strongly electronic structure and magnetic properties. The aim of this contribution is to investigate total energy dependence of atomic exchange of sites between B-D and (A,C)-D positions in Fe_3Al as well as in alloys doped with transition metals using ab-initio technique. Furthermore, dependence of electronic and magnetic properties of Fe_3Al-based alloys on the crystallographic ordering is thoroughly investigated.

Volume Effect on the Magnetism of Fe_{3-x}Cr_{x}Al

81%

Go A., Pugaczowa-Michalska M., Dobrzyński L.

Acta Physica Polonica A

2009

vol. 115

issue 1

191-193

Magnetic properties of Fe_{3-x}Cr_{x}Al alloys depend strongly on the unit cell volume. Purpose of this work is to investigate the dependence of the total and local magnetic moments on the lattice constant using the self-consistent spin-polarised TB-LMTO method.

Electrical and Magnetic Properties of Selected Fe-Based High Entropy Alloys

52%

Perzyńska K., Go A., Szymański K., Biernacka M., Hawełek Ł., Kalska-Szostko B., Oleszak D., Rećko K., Waliszewski J., Zaleski P.

Acta Physica Polonica A

2014

vol. 126

issue 4

999-1004

The electrical and magnetic properties of Fe_{0.5}A_{0.5} alloys are presented, where the A corresponds to various compositions of the elements: A = (Al, Si, V, Cr, Co, Ga, Ni, Ge). The system is closely related to the known family of high entropy alloys. The samples were synthesized by arc melting and/or melt spinning technique and exhibit a regular type of crystal structure. Lattice parameters are systematically smaller than the estimates based on metallic radiuses of the elements. Temperature dependences of resistivities show maxima for some compositions. This behavior is consistent with results of electronic structure calculations, where a low density of states at the Fermi level were predicted. Also the measured magnetic moments are in good agreement with results of calculations. It is thus presented that some physical properties can be designed by appropriate choice of the chemical composition within the same simple structure.

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3 Acta Physica Polonica A

1 2014

1 2012

1 2009

3 Go A.

2 Dobrzyński L.

1 Biernacka M.

1 Hawełek Ł.

1 Kalska-Szostko B.

1 Oleszak D.

1 Perzyńska K.

1 Pugaczowa-Michalska M.

1 Rećko K.

1 Szymański K.

1 Waliszewski J.

1 Zaleski P.

Search results

Electronic Structure and Ordering Degree in Fe_3Al Alloy Doped with Transition Metals. Ab Initio Study

Volume Effect on the Magnetism of Fe_{3-x}Cr_{x}Al

Electrical and Magnetic Properties of Selected Fe-Based High Entropy Alloys