Characterization of the Equiatomic Quaternary Heusler Alloy ZnCdRhMn: Structural, Electronic, and Magnetic Properties
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ORIGINAL PAPER
Characterization of the Equiatomic Quaternary Heusler Alloy ZnCdRhMn: Structural, Electronic, and Magnetic Properties S. Idrissi 1 & H. Labrim 2 & S. Ziti 3 & L. Bahmad 1 Received: 1 May 2020 / Accepted: 30 May 2020 # Springer Science+Business Media, LLC, part of Springer Nature 2020
Abstract In this manuscript, we study the structural, electronic, and magnetic properties of the equiatomic quaternary Heusler alloy ZnCdRhMn in the framework of the first-principle calculations and Monte Carlo simulations. In fact, we have investigated the structural, the magnetic, and the electronic properties of the Zn-based equiatomic quaternary Heusler alloy ZnCdRhMn using the ab initio method in the bases on the GGA approximation. On the other hand, the critical behavior of the equiatomic quaternary Heusler alloy ZnCdRhMn has been outlined by the Monte Carlo simulations. For this end, we apply the Metropolis algorithm. The objective of this work is to improve the competition between the austenitic and martensitic phases on the existence of magnetic and electronic properties of this alloy. The half-metallic behavior is only improved for the austenitic structure and 100% of spin polarization has been found. Moreover, a high curie temperature is found for this alloy for the austenitic phase. We can conclude that the austenitic structure of this alloy is useful for the spintronic device applications. Keywords Equiatomic Quaternary Heusler . ZnCdRhMn . Half-metallic . DFT method . Spin polarization . Monte Carlo simulations
1 Introduction Materials with high spin polarization are interesting because of their possible applications in many spintronic devices [1, 2]. Since the half-metallic ferromagnetic (HMF) compounds show 100% of spin polarization (SP), at the Fermi level, the electron states are present at this energy. Among all the HMF, Heusler alloys are interesting because of their high spin polarization SP and tunable electronic structure [2, 3]. The Co-based Heusler materials are special among
* S. Idrissi [email protected] * L. Bahmad [email protected] 1
Laboratoire de la Matière Condensée et des Sciences Interdisciplinaires (LaMCScI), Faculty of Sciences, Mohammed V University of Rabat, B.P. 1014 Rabat, Morocco
2
USM/DERS/Centre National de l’Energie, des Sciences et des Techniques Nucléaires (CNESTEN), Rabat, Morocco
3
Intelligence Artificial and Security of Systems, Faculty of Sciences, Mohammed V University of Rabat, B.P. 1014 Rabat, Morocco
them, due to their high Curie temperature and large magnetic moment [2–7]. Recently, certain Co-based Heusler alloys at lowtemperature values show high values of polarizations [3, 8]. But their device transport properties are found to decrease strongly at room temperature. Also, their polarization value decreases significantly with temperature [9, 10]. Nowadays, a new class of the Heusler alloys, including the equiatomic quaternary Heusler alloys (EQHA), have attracted a great interest due to their novel and interesting properties such as high spin p
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