TY  - JOUR
AU  - Staunton, J. B.
AU  - Banerjee, R.
AU  - dos Santos Dias, Manuel
AU  - Deak, A.
AU  - Szunyogh, L.
TI  - Fluctuating local moments, itinerant electrons, and the magnetocaloric effect: Compositional hypersensitivity of FeRh
JO  - Physical review / B
VL  - 89
IS  - 5
SN  - 1098-0121
CY  - College Park, Md.
PB  - APS
M1  - FZJ-2014-03350
SP  - 054427
PY  - 2014
AB  - We describe an ab initio disordered local moment theory for materials with quenched static compositional disorder traversing first-order magnetic phase transitions. It accounts quantitatively for metamagnetic changes and the magnetocaloric effect. For perfect stoichiometric B2-ordered FeRh, we calculate the transition temperature of the ferromagnetic-antiferromagnetic transition to be Tt= 495 K and a maximum isothermal entropy change in 2 T of |ΔS|=21.1 J K−1 kg−1. A large (40%) component of |ΔS| is electronic. The transition results from a fine balance of competing electronic effects which is disturbed by small compositional changes; e.g., swapping just 2% Fe of “defects” onto the Rh sublattice makes Tt drop by 290 K. This hypersensitivity explains the narrow compositional range of the transition and impurity doping effects.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000332409800002
DO  - DOI:10.1103/PhysRevB.89.054427
UR  - https://juser.fz-juelich.de/record/153871
ER  -