IFLP   13074
INSTITUTO DE FISICA LA PLATA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Magnetism and stability interplay: (un)expected correlations in Fe intermetallic compounds
Autor/es:
C. G. SCHON; A. GIL REBAZA; V. FERNANDEZ; LUIZ T. F. HELENO; PABLO G. GONZALEZ ORMEƑO; L. A. ERRICO; H. M. PETRILLI
Lugar:
Lausanne
Reunión:
Conferencia; Future Technologies in Automated Atomistic Simulations; 2015
Resumen:
we present an ab initio study of a large set of simple, highly symmetrical ordered Fe-compounds (superlattices of the body-centered cubic structure, BCC), in order to analyze the role of the magnetism in the phase stability of these compounds. Our results, confirm that ferromagnetism and compound stability have a competing role. That is, contrary to our common intuition, the highest magnetic moments are observed for the least stable compounds. We also show that compounds have qualitatively different behavior as regards stability, according to whether their nature is ferromagnetic or nonmagnetic.
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