Magnetocaloric Effect, Structural, Magnetic and Electronic Properties of High Entropy Alloys AlCoxCr1-xFeNi: First-Principle Calculations and Monte Carlo Simulations

被引：7

作者：

Abjaou, A. ^{[1
]}

Masrour, R. ^{[1
]}

Jabar, A. ^{[1
]}

Hlil, E. K. ^{[2
]}

机构：

[1] Sidi Mohamed Ben Abdellah Univ, Fac Sci Dhar El Mahraz, Lab Solid Phys, BP 1796, Fes, Morocco

[2] Univ Grenoble Alpes, Inst Neel, Grenoble INP, CNRS, F-38000 Grenoble, France

来源：

SPIN | 2022年 / 12卷 / 03期

关键词：

High entropy alloys; Monte Carlo simulation; electronic structure; KKR-CPA and FPLAPW; magnetic entropy change and RCP; MULTICOMPONENT;

D O I：

10.1142/S2010324722500175

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The magnetocaloric effect, electronic structure and magnetic properties of High Entropy Alloys AlCoxCr1-xFeNi (0 <= x <= 1) were calculated using the Monte Carlo simulation, the Korringa-Kohn-Rostoker method combined with the coherent potential approximation (KKR-CPA), method of linear augmented plane wave (FPLAPW) within generalized gradient approximation (GGA) and modified Becke-Johnson potential (TB-mBJ). Density of states of AlCoxCr1-xFeNi are studied and analyzed. The total magnetic moments of magnetic atoms were calculated and compared with theoretical and experimental results. On the other side, the magnetocaloric effect in AlCoxCr1-xFeNi was studied by first-principle calculations (FPCs) and Monte Carlo simulations. The magnetic phase transition temperature is estimated. The Curie temperature and exchange integrals were found to decrease with Co substitution. The magnetic entropy changes and relative cooling power are found.

引用

页数：8

共 29 条

[1]

Akai, 2002, MACHIKANEYAMA2002V08

[2] LOCAL MOMENT DISORDER IN FERROMAGNETIC-ALLOYS [J].

AKAI, H ;

DEDERICHS, PH .

PHYSICAL REVIEW B, 1993, 47 (14) :8739-8747

[3] A Combinatorial Approach for Assessing the Magnetic Properties of High Entropy Alloys: Role of Cr in AlCoxCr1-xFeNi [J].

Borkar, Tushar ;

Chaudhary, Varun ;

Gwalani, Bharat ;

Choudhuri, Deep ;

Mikler, Calvin V. ;

Soni, Vishal ;

Alam, Talukder ;

Ramanujan, Raju V. ;

Banerjee, Rajarshi .

ADVANCED ENGINEERING MATERIALS, 2017, 19 (08)

[4] Developments in magnetocaloric refrigeration [J].

Brück, E .

JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2005, 38 (23) :R381-R391

[5] Microstructural development in equiatomic multicomponent alloys [J].

Cantor, B ;

Chang, ITH ;

Knight, P ;

Vincent, AJB .

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2004, 375 :213-218

[6] Multicomponent and High Entropy Alloys [J].

Cantor, Brian .

ENTROPY, 2014, 16 (09) :4749-4768

[7] The magnetic and magnetocaloric properties of CoMnGe1-xGax alloys [J].

Dincer, I. ;

Yuzuak, E. ;

Durak, G. ;

Elerman, Y. .

JOURNAL OF ALLOYS AND COMPOUNDS, 2014, 588 :332-336

[8] Calculating condensed matter properties using the KKR-Green's function method-recent developments and applications [J].

Ebert, H. ;

Koedderitzsch, D. ;

Minar, J. .

REPORTS ON PROGRESS IN PHYSICS, 2011, 74 (09)

[9]

Ebert H., 2012, The Munich SPR-KKR package

[10]

Gonis A., 1999, GRAD TEXT C, P1

← 1 2 3 →