Study of Half Metallic Ferromagnetism and Optical Properties of Mn-Doped CdS
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ORIGINAL PAPER
Study of Half Metallic Ferromagnetism and Optical Properties of Mn-Doped CdS Muhammad Yaseen 1
&
Hina Ambreen 1 & Maryam Zia 1 & H. M. Asif Javed 1 & Asif Mahmood 2 & Adil Murtaza 3
Received: 25 November 2019 / Accepted: 4 September 2020 # Springer Science+Business Media, LLC, part of Springer Nature 2020
Abstract The spin-polarized electronic band structures, density of states and optical and magnetic properties of dilute magnetic semiconductors (DMSs) Cd1−xMnxS with 6.25%, 12.5% and 25% concentrations of Mn have been studied by using ab initio calculations. The electronic band structures show half metallic ferromagnetic (HMF) behaviour with direct band gap at Γ symmetry point. The calculated values of band gaps are 0.8 eV, 0.99 eV, 1.3 eV and 1.5 eV for CdS, Cd0.9375Mn0.0625S, Cd0.875Mn0.1250S and Cd0.75Mn0.25S, respectively. The energy gap of CdS was found to increase by doping with transition metal impurity. The addition of the dopant atoms in CdS turns it into a p-type semiconductor. This half metallic character makes these compounds a potential candidate for spintronics applications. In optical properties, the role of Mn concentration on the absorption coefficient, optical conductivity, refractive index, extinction coefficient and dielectric function has been investigated. The total magnetic moment is found approximately 5.000 μB per dopant atom for Cd1−xMnxS (x = 6.25%, 12.5% and 25%). This value indicates that every Mn impurity adds no hole carriers to the perfect CdS crystal. Keywords Spin-polarization . Magnetic moment . Half metallic ferromagnetism . Direct band gap
1 Introduction In the field of spintronics, the continuous quest is to design appropriate dilute magnetic semiconductor (DMS) and ferromagnetic (FM) materials for the room temperature applications [1]. During the last few years, half metallic ferromagnetic (HMF) materials have been studied widely due to their variety of applications in optoelectronics and spintronics devices in which the electrons play the character of information carrier [2]. In 1983, de Greet et al. gives the concept of half
* Muhammad Yaseen [email protected] * Asif Mahmood [email protected] 1
Materials Synthesis and Modelling (MSM) Lab, Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan
2
Chemical Engineering Department, College of Engineering, King Saud University, Riyadh, Saudi Arabia
3
School of Physics, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, State Key Laboratory for Mechanical Behaviour of Materials, Xi’an Jiaotong University, Xi’an 710049, China
metallic ferromagnetism and the first discovered material was NiMnSb [3]. To find HMF behaviour with the 100% spin polarization is a great challenge for researchers. Half metallic ferromagnetism has been studied theoretically as well as experimentally in diverse materials that also include the oxides of metal such asCrO2 [4], Fe3O4 [5], Co2FeSi [6] and Co2MnSi [7] and perovskite alloys such as Sr 2 F e MoO 6 [8] and La0.7Sr
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