A quantum-mechanical study of antiphase boundaries inFe2CoAl

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Authors

FRIÁK Martin GRACIAS Josef PAVLŮ Jana ŠOB Mojmír

Year of publication 2022
Type Conference abstract
MU Faculty or unit

Faculty of Science

Citation
Description We investigate thermodynamic, structural, elastic and magnetic properties of single-phase ferromagnetic Fe2CoAl with a chemically disordered B2-type lattice with and without antiphase boundaries exhibiting (001) crystallographic orientation by means of the quantum-mechanical approaches applied in the density functional theory.
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