A quantum-mechanical study of antiphase boundaries inFe2CoAl

Friák,  Martin; Gracias,  Josef; Pavlů,  Jana; Šob,  Mojmír

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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