Title
Effect of doping and elastic properties in <tex>$(Mn,Fe)_{2}$</tex>(Si,P) Effect of doping and elastic properties in <tex>$(Mn,Fe)_{2}$</tex>(Si,P)
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Subject
Physics
Source (journal)
PHYSICAL REVIEW B
Volume/pages
93(2016) :9 , 8 p.
ISSN
2469-9950
Article Reference
094110
ISI
000372712100001
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Mixed magnetism (the coexistence of strong and weak magnetism in one material) is regarded as the origin of the giant magnetocaloric effect (GMCE). A good example is (Mn,Fe)(2)(Si,P), which is established as one of the best magnetocaloric materials available. Tuning the material properties are essential for optimizing its performance, and a straightforward way to do that is by doping. In this article, an ab initio electronic structure method was used to calculate the structure and magnetic properties of 3d-transition-metal-doped (Mn,Fe)(2)(Si,P) materials for magnetocaloric applications (transition metals are Cr, Co, Mn, Ni, Cu). For a steady performance, the material should be mechanically stable. A detailed analysis of the elastic constants shows that the mechanical stability of the (Mn,Fe)(2)(Si,P) system increases significantly by doping with boron without affecting the magnetic properties. Insights of the influence of doping enable future studies to understand and predict bettermagnetocaloric materials.
E-info
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Full text (open access)
https://repository.uantwerpen.be/docman/irua/f191e6/133192.pdf
Handle