Room-temperature large magnetocaloric, electronic and magnetic properties in La0.75Sr0.25MnO3 manganite: Ab initio calculations and Monte Carlo simulations

被引:29
作者
Kadim, G. [1 ]
Masrour, R. [1 ]
Jabar, A. [1 ]
Hlil, E. K. [2 ]
机构
[1] Sidi Mohamed Ben Abdellah Univ, Fac Sci, Lab Solid Phys, BP 1796, Fes, Morocco
[2] Univ Grenoble Alpes, Inst Neel, CNRS, BP 166, F-38042 Grenoble, France
关键词
La0.75Sr0.25MnO3; perovskite; Magnetocaloric effect; Monte Carlo; Simulation; Ab initio; HALF-METALLICITY; TRANSITION; METAL; PERFORMANCES; CHARGE; SPIN; RE;
D O I
10.1016/j.physa.2021.125936
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
By using the Ab initio and Monte Carlo calculations, we have studied the magnetism of the crystalline La0.75Sr0.25MnO3 perovskite. The ferromagnetic phase of La0.75Sr0.25MnO3 is half-metallic, which is important in the relation to the colossal magnetoresistance properties of this compound. The total magnetic moment and the exchange couplings deduced from ab initio calculations lead, by using Monte Carlo simulations, to a quantitative agreement with the experimental transition temperatures. The maximum magnetic entropy change and the specific heat are found to be 9.23 J K-1 kg(-1) and 191 J mol(-1) K-1, respectively for H = 6 T. Our results suggest that this material a promising candidate for magnetic refrigeration application near to room temperature at moderate fields. (C) 2021 Elsevier B.V. All rights reserved.
引用
收藏
页数:8
相关论文
共 51 条
[11]   Phenomenological modeling of magnetic and magnetocaloric properties in rare earth doped La0.8Ca0.2MnO3 [J].
Khlifi, M. ;
Dhahri, Kh ;
Dhahri, J. ;
Dhahri, E. ;
Hlil, E. K. .
PHASE TRANSITIONS, 2019, 92 (04) :411-418
[12]   Interplay between spin, charge and orbital degrees of freedom in magnetic oxides [J].
Khomskii, DI ;
Sawatzky, GA .
SOLID STATE COMMUNICATIONS, 1997, 102 (2-3) :87-99
[13]   Magnetic properties and excellent cryogenic magnetocaloric performances in B-site ordered RE2ZnMnO6 (RE = Gd, Dy and Ho) perovskites [J].
Li, Lingwei ;
Xu, Peng ;
Ye, Shuaikun ;
Li, Yong ;
Liu, Guodong ;
Huo, Dexuan ;
Yan, Mi .
ACTA MATERIALIA, 2020, 194 :354-365
[14]   Recent progresses in exploring the rare earth based intermetallic compounds for cryogenic magnetic refrigeration [J].
Li, Lingwei ;
Yan, Mi .
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 823
[15]   Achievement of a table-like magnetocaloric effect in the dual-phase ErZn2/ErZn composite [J].
Li, Lingwei ;
Yuan, Ye ;
Qi, Yang ;
Wang, Qiang ;
Zhou, Shengqiang .
MATERIALS RESEARCH LETTERS, 2018, 6 (01) :67-71
[16]   Thickness Dependent Properties in Oxide Heterostructures Driven by Structurally Induced Metal-Oxygen Hybridization Variations [J].
Liao, Zhaoliang ;
Gauquelin, Nicolas ;
Green, Robert J. ;
Macke, Sebastian ;
Gonnissen, Julie ;
Thomas, Sean ;
Zhong, Zhicheng ;
Li, Lin ;
Si, Liang ;
Van Aert, Sandra ;
Hansmann, Philipp ;
Held, Karsten ;
Xia, Jing ;
Verbeeck, Johan ;
Van Tendeloo, Gustaaf ;
Sawatzky, George A. ;
Koster, Gertjan ;
Huijben, Mark ;
Rijnders, Guus .
ADVANCED FUNCTIONAL MATERIALS, 2017, 27 (17)
[17]  
Liu J, 2012, NAT MATER, V11, P620, DOI [10.1038/NMAT3334, 10.1038/nmat3334]
[18]   The role of Coulomb correlation in magnetic and transport properties of doped manganites:: La0.5Sr0.5MnO3 and LaSr2Mn2O7 [J].
Medvedeva, JE ;
Anisimov, VI ;
Mryasov, ON ;
Freeman, AJ .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (17) :4533-4542
[19]   Magnetocaloric properties of doped lanthanum manganite films [J].
Morelli, DT ;
Mance, AM ;
Mantese, JV ;
Micheli, AL .
JOURNAL OF APPLIED PHYSICS, 1996, 79 (01) :373-375
[20]   Physical properties of niobium-based intermetallics (Nb3B; B = Os, Pt, Au): a DFT-based ab-initio study [J].
Naher, Mosammat I. ;
Parvin, Fahmida ;
Islam, Azharul K. M. A. ;
Naqib, Saleh H. .
EUROPEAN PHYSICAL JOURNAL B, 2018, 91 (11)