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Ab initio theory of the Gibbs free energy of itinerant electron systems: The magnetism of the Mn3A materials class

Ab initio theory of the Gibbs free energy and a hierarchy of local moment correlation functions in itinerant electron systems: The magnetism of the Mn3A materials class

Eduardo Mendive-Tapia and Julie B. Staunton, Phys. Rev. B 99, 144424 (2019) – Published 25 April 2019. https://doi.org/10.1103/PhysRevB.99.144424

Phase diagrams and the temperature and field dependence of complex magnetic materials are described here by an ab initio theory. Consideration of fluctuating local degrees of freedom (‘local moments’), emerging from a material’s interacting itinerant electrons, produces naturally a picture of multisite magnetic interactions. Accurate prediction of the order of transitions and the role of both electronic and magnetoelastic effects in the Gibbs free energy coefficients are demonstrated by application to the widely varying frustrated magnetism of Mn3A .

This paper appears as a highlight in the latest version of Physical Review B as an Editor's Suggestion.

Fri 26 Apr 2019, 09:16

Structural and magnetic properties of GdCo5-xNix

Our joint experimental/theoretical study of nickel-doped GdCo5, a prototypical example of a rare-earth/transition-metal compensated ferrimagnet, has been published in Physical Review Materials.

Wed 27 Mar 2019, 17:05

Ab initio calculations of temperature-dependent magnetostriction of Fe and A2 FeGa within the disordered local moment picture

Our computational study of the temperature dependence of magnetostriction, the spontaneous deformation of materials due to the application of a magnetic field, in pure Fe and the fully disordered A2 phase of Fe_{1-x}Ga_x (Galfenol) has been published in Physical Review B.

Thu 21 Feb 2019, 09:01

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