Diffraction neutronique de Mn3GaN

Copyright and reuse:The Warwick Research Archive Portal (WRAP) makes this work by researchers of the University of Warwick available open access under the following conditions. Copyright © and all moral rights to the version of the paper presented here belong to the individual author(s) and/or other copyright owners. To the extent reasonable and practicable the material made available in WRAP has been checked for eligibility before being made available.Copies of full items can be used for personal research or study, educational, or not-for-profit purposes without prior permission or charge. Provided that the authors, title and full bibliographic details are credited, a hyperlink and/or URL is given for the original metadata page and the content is not changed in any way. Publisher statement: © 2017 American Physical Society A note on versions:The version presented here may differ from the published version or, version of record, if you wish to cite this item you are advised to consult the publisher's version. Please see the 'permanent WRAP URL' above for details on accessing the published version and note that access may require a subscription. 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 Mn3AN (A = Rh, Pd, Ag, Co, Ni, Zn, Ga, In, Sn) at zero temperature. Building on the robustness of the effect we focus on Mn3GaN 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).

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“…1 as the most stable structure in agreement with early neutron diffraction studies 17,18,33 and with our zerotemperature simulations of sec. II.…”

Section: A Unstrained Cubic Systemsupporting

confidence: 91%

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

et al. 2017

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“…Recently, a similar behavior has been observed in an antiperovskite compound GaNMn 3 by Song et al [33]. A variety of magnetic behavior has been reported for GaNMn 3 in the prior literatures [34][35][36][37][38][39]. Song et al attribute these differences to the differences in the various synthesis routes employed for this compound and the resulting variation in compositions.…”

Section: Electronic and Magnetic Properties Of Innmmentioning

confidence: 53%

Preparation and properties of antiperovskite-type nitrides: InNNi3 and InNCo3

Cao

Liao

et al. 2009

Journal of Solid State Chemistry

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“…1. This is the non-collinear Γ 5g structure (in the classification of Bertaut et al 17 ) with the local magnetic moments on the (111) plane forming clockwise or counterclockwise configurations, compensating each other. As a result in the ground state Mn 3 GaN has zero net magnetization.…”

Section: Mn-based Antiperovskitesmentioning

confidence: 96%

Large magnetoelectric effect in ferroelectric/piezomagnetic heterostructures

2011

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We present results of the first principles calculations on the large magnetoelectric effect in ferroelectric/piezomagnetic multilayers. We consider thin film layered heterostructure of typical ferroelectric, such as PbTiO3, with piezomagnetic (PzM) Mn-based antiperovskite, such as Mn3GaN. The atomic displacements induced by the FE polarization as well as mechanical stress at the interface break the triangular magnetic symmetry of the PzM phase producing net magnetization in the system. Induced magnetization can be controlled by changing the direction of polarization in ferroelectric phase. Our calculations show that reversal of the polarization results in change of the net magnetization in the system by more than 50%.

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Diffraction neutronique de Mn3GaN

Cited by 104 publications

References 2 publications

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

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

Preparation and properties of antiperovskite-type nitrides: InNNi3 and InNCo3

Large magnetoelectric effect in ferroelectric/piezomagnetic heterostructures

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