Magnetic properties and magnetocaloric effect of Gd3In compound: DFT and Monte Carlo simulations

被引：2

作者：

El Asame, Khaoula ^{[1
]}

Zaari, Halima ^{[1
]}

Rhazaoui, Abdessamia ^{[1
]}

Benyoussef, Abdelilah ^{[1
,2
]}

El Kenz, Abd Allah ^{[1
]}

机构：

[1] Mohammed V Univ, Fac Sci, Un Rech Labellisee CNRST URL CNRST 17, Lab Condensed Matter & Interdisciplinary Sci, Rabat, Morocco

[2] Hassan II Acad Sci & Technol, Rabat, Morocco

来源：

CHEMICAL PHYSICS LETTERS | 2024年 / 842卷

关键词：

Magnetocaloric effect; Density functional theory; Monte Carlo simulation; Magnetic properties; Gd3In;

D O I：

10.1016/j.cplett.2024.141201

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We present a comprehensive investigation of the magnetocaloric properties of Gd3In and its potential for use in magnetic refrigeration. We aim to discuss its magnetocaloric effect using Density Functional theory (DFT) and Monte Carlo simulations. The results show that Gd contributes to the total magnetic moment in Gd3In, with a value of 7.21 mu(B) per formula. Gd3In has a critical temperature T-c = 240K leading to a transition from paramagnetic to ferromagnetic behavior. The maximum entropy change (-Delta S) and the adiabatic temperature change (Delta Ta-diabatic) attain values of 4.7 J/kg.K and 7.9 K, respectively, under an applied magnetic field of H = 5 T.

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页数：6

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