Microscopic theory of magnetism in the magnetocaloric material Fe2P1-xTx (T = B and Si)

• Landau phenomenological theory in combination with first-principles calculations was used to reveal the origin of the metamagnetic nature and the unusually strong dependence of the ordering temperature with doping of the Fe2P compound. We show that the magnetism of the two sublattices occupied by Fe atoms has an entwined codependency, which is strongly influenced by alloying. We furthermore demonstrate that a constrained disordered local moment approach combined with Monte Carlo simulations can only reproduce the experimental ordering temperatures in these technologically important prototype alloys for magnetocaloric refrigeration.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

Fe2p Single-Crystal

Metamagnetic Transition

Phase-Transitions

Potential Model

Ferromagnetism

Metals

Approximation

Refrigeration

Mossbauer

System

Physics

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)