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• W4366998878 abstract "La(Fe$_x$Si$_{1-x}$)$_{13}$ and derived quaternary compounds are well-known for their giant, tunable, magneto- and barocaloric responses around a first-order paramagnetic-ferromagnetic transition near room temperature with low hysteresis. Remarkably, such a transition shows a large spontaneous volume change together with itinerant electron metamagnetic features. While magnetovolume effects are well-established mechanisms driving first-order transitions, purely electronic sources have a long, subtle history and remain poorly understood. Here we apply a disordered local moment picture to quantify electronic and magnetoelastic effects at finite temperature in La(Fe$_x$Si$_{1-x}$)$_{13}$ from first-principles. We obtain results in very good agreement with experiment and demonstrate that the magnetoelastic coupling, rather than purely electronic mechanisms, drives the first-order character and causes at the same time a huge electronic entropy contribution to the caloric response." @default.
• W4366998878 created "2023-04-27" @default.
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• W4366998878 date "2023-05-09" @default.
• W4366998878 modified "2023-10-18" @default.
• W4366998878 title "Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(Fe x Si 1−x )₁₃" @default.
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• W4366998878 doi "https://doi.org/10.1088/2515-7655/acd027" @default.
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