Effect of off-stoichiometry and Ta doping on Fe-rich (Mn,Fe)2(P,Si) based giant magnetocaloric materials

Fengqi Zhang; Ivan Batashev; Niels van Dijk; Ekkes Brück

doi:10.1016/j.scriptamat.2022.115253

Effect of off-stoichiometry and Ta doping on Fe-rich (Mn,Fe)₂(P,Si) based giant magnetocaloric materials

Fengqi Zhang^*, Ivan Batashev, Niels van Dijk, Ekkes Brück

^*Corresponding author for this work

RST/Fundamental Aspects of Materials and Energy

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Abstract

The influence of off-stoichiometry and of doping with the 5d transition metal Ta has been studied in the quaternary (Mn,Fe)₂(P,Si)-based compound, which is one of the most promising materials systems for magnetic refrigeration. It is found that Ta substitution can decrease the transition temperature T_tr, while the thermal hysteresis ∆T_hys remains about constant. A low Ta doping enhances the magnetocaloric effect (MCE). For Mn_0.6Fe_1.27-_yTa_yP_0.64Si_0.36 with y = 0.01 the magnetic entropy change ∆S_m shows and enhancement of 30.7% compared to the undoped material for a low magnetic field change of 1 T. The occupancy of substitutional Ta atoms is determined by XRD and DFT calculations. The T_tr shift and enhanced MCE upon Ta doping are ascribed to the competition between a weakening of the magnetic exchange interactions and a strengthening of the hybridization. Our studies provide a good strategy to further optimize the MCE of this material family.

Original language	English
Article number	115253
Number of pages	6
Journal	Scripta Materialia
Volume	226
DOIs	https://doi.org/10.1016/j.scriptamat.2022.115253
Publication status	Published - 2023

Keywords

(Mn,Fe)(P,Si)
Magnetocaloric effect
Off-stoichiometry
Ta doping

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10.1016/j.scriptamat.2022.115253

1-s2.0-S1359646222007473-main1Final published version, 2.81 MBLicence: CC BY

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@article{821c8c907c81489c9f61a83790267790,

title = "Effect of off-stoichiometry and Ta doping on Fe-rich (Mn,Fe)2(P,Si) based giant magnetocaloric materials",

abstract = "The influence of off-stoichiometry and of doping with the 5d transition metal Ta has been studied in the quaternary (Mn,Fe)2(P,Si)-based compound, which is one of the most promising materials systems for magnetic refrigeration. It is found that Ta substitution can decrease the transition temperature Ttr, while the thermal hysteresis ∆Thys remains about constant. A low Ta doping enhances the magnetocaloric effect (MCE). For Mn0.6Fe1.27-yTayP0.64Si0.36 with y = 0.01 the magnetic entropy change ∆Sm shows and enhancement of 30.7% compared to the undoped material for a low magnetic field change of 1 T. The occupancy of substitutional Ta atoms is determined by XRD and DFT calculations. The Ttr shift and enhanced MCE upon Ta doping are ascribed to the competition between a weakening of the magnetic exchange interactions and a strengthening of the hybridization. Our studies provide a good strategy to further optimize the MCE of this material family.",

keywords = "(Mn,Fe)(P,Si), Magnetocaloric effect, Off-stoichiometry, Ta doping",

author = "Fengqi Zhang and Ivan Batashev and {van Dijk}, Niels and Ekkes Br{\"u}ck",

year = "2023",

doi = "10.1016/j.scriptamat.2022.115253",

language = "English",

volume = "226",

journal = "Scripta Materialia",

issn = "1359-6462",

publisher = "Elsevier",

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TY - JOUR

T1 - Effect of off-stoichiometry and Ta doping on Fe-rich (Mn,Fe)2(P,Si) based giant magnetocaloric materials

AU - Zhang, Fengqi

AU - Batashev, Ivan

AU - van Dijk, Niels

AU - Brück, Ekkes

PY - 2023

Y1 - 2023

N2 - The influence of off-stoichiometry and of doping with the 5d transition metal Ta has been studied in the quaternary (Mn,Fe)2(P,Si)-based compound, which is one of the most promising materials systems for magnetic refrigeration. It is found that Ta substitution can decrease the transition temperature Ttr, while the thermal hysteresis ∆Thys remains about constant. A low Ta doping enhances the magnetocaloric effect (MCE). For Mn0.6Fe1.27-yTayP0.64Si0.36 with y = 0.01 the magnetic entropy change ∆Sm shows and enhancement of 30.7% compared to the undoped material for a low magnetic field change of 1 T. The occupancy of substitutional Ta atoms is determined by XRD and DFT calculations. The Ttr shift and enhanced MCE upon Ta doping are ascribed to the competition between a weakening of the magnetic exchange interactions and a strengthening of the hybridization. Our studies provide a good strategy to further optimize the MCE of this material family.

AB - The influence of off-stoichiometry and of doping with the 5d transition metal Ta has been studied in the quaternary (Mn,Fe)2(P,Si)-based compound, which is one of the most promising materials systems for magnetic refrigeration. It is found that Ta substitution can decrease the transition temperature Ttr, while the thermal hysteresis ∆Thys remains about constant. A low Ta doping enhances the magnetocaloric effect (MCE). For Mn0.6Fe1.27-yTayP0.64Si0.36 with y = 0.01 the magnetic entropy change ∆Sm shows and enhancement of 30.7% compared to the undoped material for a low magnetic field change of 1 T. The occupancy of substitutional Ta atoms is determined by XRD and DFT calculations. The Ttr shift and enhanced MCE upon Ta doping are ascribed to the competition between a weakening of the magnetic exchange interactions and a strengthening of the hybridization. Our studies provide a good strategy to further optimize the MCE of this material family.

KW - (Mn,Fe)(P,Si)

KW - Magnetocaloric effect

KW - Off-stoichiometry

KW - Ta doping

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U2 - 10.1016/j.scriptamat.2022.115253

DO - 10.1016/j.scriptamat.2022.115253

M3 - Article

AN - SCOPUS:85144822528

SN - 1359-6462

VL - 226

JO - Scripta Materialia

JF - Scripta Materialia

M1 - 115253

ER -

Effect of off-stoichiometry and Ta doping on Fe-rich (Mn,Fe)₂(P,Si) based giant magnetocaloric materials

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Keywords

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