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

被引：0
|
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.
引用
收藏
页数：6
相关论文
共 50 条
  • [31] The structural, electronic, optical, thermoelectric, and magnetic properties of the Perovskite PrFeO3: DFT and Monte Carlo simulations
    Benyoussef, S.
    Jabar, A.
    Idrissi, S.
    Tahiri, N.
    Bahmad, L.
    JOURNAL OF MOLECULAR MODELING, 2024, 30 (10)
  • [32] Magnetocaloric properties in La1-xCaxMnO3 thin films: Monte Carlo simulations
    Restrepo-Parra, E.
    Ramos-Rivera, L.
    Londono-Navarro, J.
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2014, 351 : 65 - 69
  • [33] Magnetic properties study of the anti-perovskite Mn3CuN compound by Monte Carlo simulations
    Khalladi, R.
    Labrim, H.
    Idrissi, S.
    Mtougui, S.
    El Housni, I
    Ziti, S.
    El Mekkaoui, N.
    Bahmad, L.
    SOLID STATE COMMUNICATIONS, 2019, 290 : 42 - 48
  • [34] The magnetocaloric and magnetic properties of the MnFe4Si3: Monte Carlo investigation
    Bouachraoui, Rachid
    Ziat, Younes
    Sbai, Younes
    El Rhazouani, Omar
    Goumrhar, Faycal
    Bahmad, Lahoucine
    JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 809
  • [35] DFT and Monte Carlo simulations of Optical, Structural, electronic and Electrocaloric properties of Ca 3 Ti 2 O 7 compound
    Jabar, A.
    Bahmad, L.
    Benyoussef, S.
    MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS, 2024, 303
  • [36] Electronic, magnetic properties and magnetocaloric effect in La0.67Sr0.33MnO3 compound: Ab initio calculations and Monte Carlo simulation
    Loudaini, A.
    Aggour, M.
    Mounkachi, O.
    Bahmad, L.
    SOLID STATE COMMUNICATIONS, 2019, 295 : 5 - 11
  • [37] Monte Carlo study of the magnetic properties and magnetocaloric effect of an AFM/FM BiFeO3/Co bilayer
    Chun-lu Chang
    Wei Wang
    He Ma
    Han Huang
    Jin-cheng Liu
    Rui-ze Geng
    Communications in Theoretical Physics, 2021, 73 (09) : 155 - 166
  • [38] MONTE-CARLO SIMULATIONS OF THE MAGNETOCALORIC EFFECT IN SUPERFERROMAGNETIC CLUSTERS HAVING UNIAXIAL MAGNETIC-ANISOTROPY
    BENNETT, LH
    MCMICHAEL, RD
    TANG, HC
    WATSON, RE
    JOURNAL OF APPLIED PHYSICS, 1994, 75 (10) : 5493 - 5495
  • [39] Monte Carlo study of magnetic properties and magnetocaloric effect of the polyphenylene dendrimers of a mixed spin 3/2 and 1
    Jerrari, M.
    Masrour, R.
    Sahdane, T.
    CHINESE JOURNAL OF PHYSICS, 2024, 89 : 27 - 36
  • [40] Monte Carlo study of the magnetic properties and magnetocaloric effect of an AFM/FM BiFeO3/Co bilayer
    Chang, Chun-lu
    Wang, Wei
    Ma, He
    Huang, Han
    Liu, Jin-cheng
    Geng, Rui-ze
    COMMUNICATIONS IN THEORETICAL PHYSICS, 2021, 73 (09)
12345