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https://doi.org/10.1103/physre...
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Frustrated magnetism and caloric effects in Mn-based antiperovskite nitrides: Ab initio theory

Authors: Zemen, J.; Tapia, E. Mendive; Gercsi, Z.; Banerjee, R.; Patrick, C. E.; Staunton, J. B.; Sandeman, K. G.;

Frustrated magnetism and caloric effects in Mn-based antiperovskite nitrides: Ab initio theory

Abstract

We model changes of magnetic ordering in Mn-antiperovskite nitrides driven by biaxial lattice strain at zero and at finite temperature. We employ a non-collinear spin-polarised 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 Mn$_3$AN (A = Rh, Pd, Ag, Co, Ni, Zn, Ga, In, Sn) at zero temperature. Building on the robustness of the effect we focus on Mn$_3$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 stabilised 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).

12 pages, 10 figures

Keywords

Condensed Matter - Strongly Correlated Electrons, Strongly Correlated Electrons (cond-mat.str-el), TK, FOS: Physical sciences, Condensed Matter Physics, Den kondenserade materiens fysik, QC

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
45
Top 10%
Top 10%
Top 10%
Green