The Library
Frustrated magnetism and caloric effects in Mn-based antiperovskite Nitrides : Ab Initio theory
Tools
Tools
Tools
Zemen, J., Mendive-Tapia, Eduardo, Gercsi, Z., Banerjee, R., Staunton, Julie B. and Sanderman, K. G. (2017) Frustrated magnetism and caloric effects in Mn-based antiperovskite Nitrides : Ab Initio theory. Physical Review B (Condensed Matter and Materials Physics), 95 (18). 184438 . ISSN 1098-0121.
|
PDF
WRAP-frustrated-caloric-effects-theory-Staunton-2017.pdf - Accepted Version - Requires a PDF viewer. Download (2914Kb) | Preview |
Official URL: https://journals.aps.org/prb/issues
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 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).
| Item Type: | Journal Article | ||||||
|---|---|---|---|---|---|---|---|
| Subjects: | Q Science > QC Physics T Technology > TK Electrical engineering. Electronics Nuclear engineering |
||||||
| Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||
| Library of Congress Subject Headings (LCSH): | Nitrides -- Magnetic properties , Perovskite , Antiferromagnetism, Ferromagnetism | ||||||
| Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) | ||||||
| Publisher: | American Physical Society | ||||||
| ISSN: | 1098-0121 | ||||||
| Official Date: | 31 May 2017 | ||||||
| Dates: |
|
||||||
| Volume: | 95 | ||||||
| Number: | 18 | ||||||
| Article Number: | 184438 | ||||||
| Status: | Peer Reviewed | ||||||
| Publication Status: | Published | ||||||
| Access rights to Published version: | Restricted or Subscription Access | ||||||
| Date of first compliant deposit: | 4 May 2017 | ||||||
| Date of first compliant Open Access: | 9 May 2017 | ||||||
| Funder: | Seventh Framework Programme (European Commission) (FP7), Engineering and Physical Sciences Research Council (EPSRC) | ||||||
| Grant number: | Grant agreement 310748 DRREAM (FP7), EP/J06750/1 EP/M028941/1 (EPSRC) | ||||||
| Open Access Version: |
Request changes or add full text files to a record
Repository staff actions (login required)
 |
View Item |
Downloads
Downloads per month over past year
