Frustrated magnetism and caloric effects in Mn-based antiperovskite nitrides: Ab initio theory
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F17%3A00315478" target="_blank" >RIV/68407700:21230/17:00315478 - isvavai.cz</a>
Result on the web
<a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.95.184438" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/PhysRevB.95.184438</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.95.184438" target="_blank" >10.1103/PhysRevB.95.184438</a>
Alternative languages
Result language
angličtina
Original language name
Frustrated magnetism and caloric effects in Mn-based antiperovskite nitrides: Ab initio theory
Original language description
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 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 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).
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
PHYSICAL REVIEW B
ISSN
2469-9950
e-ISSN
2469-9969
Volume of the periodical
95
Issue of the periodical within the volume
18
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
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UT code for WoS article
000411500800004
EID of the result in the Scopus database
2-s2.0-85024368993