Carrier-mediated ferromagnetism in Mn(II)-doped ZnTe thin films and their optical properties: A first-principles study

Khan, Muhammad Sheraz; Zou, B. S.; Shi, Lei; Yao, Shangfei; Bukhtiar, Arfan; Huang, Weiguo; Yang, Lu Feng; Cao, Juexian; Zheng, Bin

doi:10.1016/j.jallcom.2023.171316

Cited by 4 publications

(1 citation statement)

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“…Due to their prospective applications in optoelectronic, nano-electronic, and photonic devices, low-dimensional ZnO nanostructures like nanobelts, nanowires, nanofilms, and nanotubes have been investigated over the past decade [5][6][7]. Dilute magnetic semiconductors fabricated by doping transition metals into non-magnetic semiconductors have attracted significant research interest not only for their potential application as spin-based electronic materials in spintronic technology but also for their fundamental role in understanding the complex exchange mechanism in magnetism [8,9]. At the nanoscale, these materials have unique optical and magnetic properties.…”

Section: Introductionmentioning

confidence: 99%

Induced ferromagnetism in Ni(II) doped ZnO monolayers via Al co-doping and their optical characteristics: ab initio study

Khan,

Zou,

Bukhtiar

et al. 2024

Nanotechnology

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For applications in magneto-electronic devices, diluted magnetic semiconductors (DMSs) usually exhibit spin-dependent coupling and induced ferromagnetism at high Curie temperatures. The processes behind the behavior of optical emission and ferromagnetism, which can be identified by complicated microstructural and chemical characteristics, are still not well understood. In this study, the impact of Al co-doping on the electronic, optical, and magnetic properties of Ni(II) doped ZnO monolayers has been investigated using first principles calculations. Ferromagnetism in the co-doped monolayer is mainly triggered by the exchange coupling between the electrons provided by Al co-doping and Ni(II)-d states; therefore, the estimated Curie temperature is greater than room temperature (RT). The spin-spin couplings in mono-doped and co-doped monolayers were explained using the band-coupling mechanism. Based on the optical study, we observed that the Ni-related absorption peak occurred at 2.13-2.17 eV, showing a redshift as Ni concentrations increased. The FM coupling between Ni ions in the co-doped monolayer may be responsible for the reduction in the fundamental band gap seen with Al co-doping. We observed peaks in the near IR and visible regions of the co-doped monolayer, which improve the optoelectronic device’s photovoltaic performance. Additionally, the correlation between optical characteristics and spin-spin couplings has been studied. We found that the Ni(II)’s d-d transition bands or fundamental band gap in the near configuration undergoes a significant shift in response to AFM and FM coupling, whereas in the far configuration, they have a negligible shift due to the paramagnetic behavior of the Ni ions. These findings suggest that the magnetic coupling in DMS may be utilized for controlling the optical characteristics.

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