Atomic disorder and the magnetic, electrical, and optical properties of a Co2CrAl Heusler alloy |
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Authors: | A D Svyazhin E I Shreder V I Voronin I F Berger S E Danilov |
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Institution: | 19915. Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, ul. S. Kovalevskoi 18, Yekaterinburg, 620990, Russia 29915. Institute of Solid-State Chemistry, Ural Branch, Russian Academy of Sciences, ul. Pervomaiskaya 91, Yekaterinburg, 620990, Russia
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Abstract: | Two Co2CrAl alloy samples subjected to different heat treatment regimes are studied. An exact distribution of atoms over the sublattices in the samples is determined by X-ray diffraction and neutron diffraction methods. These data are used to perform ab initio density of states calculations and to calculate the magnetic moments of the samples in a coherent potential approximation. The calculated magnetic moments are compared to the experimental values. The effect of atomic ordering on the electronic structure near the Fermi level is analyzed using optical methods. The possible causes of the detected temperature dependence of the electrical resistivity, unusual for metallic alloys, are discussed. |
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