Ab initio study of C14 Laves phase in Fe-based systems

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Authors	HOUSEROVÁ Jana ŠOB Mojmír
Year of publication	2005
Type	Article in Proceedings
Conference	Sborník abstrakt ISPMA-10
MU Faculty or unit	Faculty of Science
Citation
Field	Thermodynamics
Keywords	ab initio; Laves phase; Fe-based systems
Description	Results of first-principles calculations of total energy of C14 Laves phase were used for prediction of stability of various configurations (A2A, A2Fe, Fe2A and Fe2Fe) of this structure in Fe-based system.
Related projects:	Quantum-mechanical studies of strength, stability and phase transformations in advanced intermetallic compounds