<p>A single-phase, two-dimensional layered semiconductor of Mn<sup>2+</sup>-substituted SnS<sub>2</sub> was synthesized using the low temperature and cost-effective hydrothermal method. Powder X-ray diffraction (XRD) analysis revealed a considerable contribution of γ-MnO<sub>2</sub> at higher Mn<sup>2+</sup> substitution concentrations. An XRD blue shift accounts for Mn<sup>2+</sup> substitutions at both substitutional and interstitial sites. Scanning electron microscope (SEM) analysis confirms a two-dimensional disk morphology, containing a large number of nano-crystallites. The electronic structure is visualized using the 3D, 2D, and 1D maximum entropy method (MEM) analysis, such as electron density inside the unit cell, the type and strength of inter- and intra-bonding, and its effect on Mn<sup>2+</sup> substitution. In addition to substitutional doping, MEM-based peak search analysis and electron paramagnetic resonance (EPR) studies confirmed interstitial charge accumulation. The 3% Mn<sup>2+</sup>-substituted composition has superior soft ferromagnetism, with a magnetic saturation of 0.1915&#xa0;emu/g and coercivity of 174.16 Oe, making it suitable for dilute magnetic semiconductor applications. The mechanism and origin of ferromagnetism are explained based on Mn<sup>2+</sup> substitution in substitutional or interstitial sites as well as the concentration of impurity addition γ-MnO<sub>2</sub>. Optical energy band gap analysis confirms that direct energy gaps are useful for photoactivated catalytic applications. An empirical correlation between magnetic saturation and MEM-based electronic structure is the highlight of the research.</p>

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Tailoring Optical and Magnetic Properties in Mn2+-Substituted 2D Magnetic Semiconductor SnS2: A Powder XRD Approach for Electronic Structure Analysis

  • N. Pavithra,
  • M. Charles Robert

摘要

A single-phase, two-dimensional layered semiconductor of Mn2+-substituted SnS2 was synthesized using the low temperature and cost-effective hydrothermal method. Powder X-ray diffraction (XRD) analysis revealed a considerable contribution of γ-MnO2 at higher Mn2+ substitution concentrations. An XRD blue shift accounts for Mn2+ substitutions at both substitutional and interstitial sites. Scanning electron microscope (SEM) analysis confirms a two-dimensional disk morphology, containing a large number of nano-crystallites. The electronic structure is visualized using the 3D, 2D, and 1D maximum entropy method (MEM) analysis, such as electron density inside the unit cell, the type and strength of inter- and intra-bonding, and its effect on Mn2+ substitution. In addition to substitutional doping, MEM-based peak search analysis and electron paramagnetic resonance (EPR) studies confirmed interstitial charge accumulation. The 3% Mn2+-substituted composition has superior soft ferromagnetism, with a magnetic saturation of 0.1915 emu/g and coercivity of 174.16 Oe, making it suitable for dilute magnetic semiconductor applications. The mechanism and origin of ferromagnetism are explained based on Mn2+ substitution in substitutional or interstitial sites as well as the concentration of impurity addition γ-MnO2. Optical energy band gap analysis confirms that direct energy gaps are useful for photoactivated catalytic applications. An empirical correlation between magnetic saturation and MEM-based electronic structure is the highlight of the research.