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- W2520228876 abstract "We model changes of magnetic ordering in Mn-based antiperovskite nitrides driven by biaxial lattice strain at zero and at finite temperature. We employ a noncollinear spin-polarized density functional theory to compare the response of the geometrically frustrated exchange interactions to a tetragonal symmetry breaking (the so called piezomagnetic effect) across a range of ${mathrm{Mn}}_{3}mathrm{AN}$ (A = Rh, Pd, Ag, Co, Ni, Zn, Ga, In, Sn) at zero temperature. Building on the robustness of the effect we focus on ${mathrm{Mn}}_{3}mathrm{GaN}$ and extend our study to finite temperature using the disordered local moment (DLM) first-principles electronic structure theory to model the interplay between the ordering of Mn magnetic moments and itinerant electron states. We discover a rich temperature-strain magnetic phase diagram with two previously unreported phases stabilized by strains larger than 0.75% and with transition temperatures strongly dependent on strain. We propose an elastocaloric cooling cycle crossing two of the available phase transitions to achieve simultaneously a large isothermal entropy change (due to the first-order transition) and a large adiabatic temperature change (due to the second-order transition)." @default.
- W2520228876 created "2016-09-23" @default.
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- W2520228876 date "2017-05-31" @default.
- W2520228876 modified "2023-10-16" @default.
- W2520228876 title "Frustrated magnetism and caloric effects in Mn-based antiperovskite nitrides: <i>Ab initio</i> theory" @default.
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- W2520228876 doi "https://doi.org/10.1103/physrevb.95.184438" @default.
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