Electron density mapping using maximum entropy method and room temperature magnetism in Cr3+ substituted SnS2

• Published in: Journal of materials science. Materials in electronics 2024-09, Vol.35 (25), p.1699, Article 1699
• Main Authors: Pavithra, N., Robert, M. Charles
• Format: Article
• Language: English
• Subjects: Bonding strength; Characterization and Evaluation of Materials; Chemistry and Materials Science; Coercivity; Data analysis; Electron density; Electron paramagnetic resonance; Electron spin; Electrons; Energy gap; Magnetic materials; Magnetic properties; Magnetic saturation; Magnetic semiconductors; Mapping; Materials Science; Maximum entropy method; Optical and Electronic Materials; Optical properties; Photoluminescence; Physical properties; Room temperature; Spin resonance; Spintronics; Substitutes; Trivalent chromium; X ray powder diffraction; X-ray diffraction
• ISSN: 0957-4522; 1573-482X
• DOI: 10.1007/s10854-024-13447-x

Powder X-ray diffraction (XRD) data were used to analyze the electrical and local structure of dilute magnetic materials, namely SnS 2 substituted with 2.5%, 5%, and 7.5% chromium (Cr 3+ ). These materials are magnetic semiconductors with applications in spintronics, half metals, and valleytronics. This study uses XRD data to investigate the electron density mapping and bonding behavior of 3D and 2D MEM (maximum entropy method). It also looks at interstitial charge buildup that occurs outside of the normal lattice. Adding Cr 3+ to pure Tin disulfide (SnS 2 ) results in mild magnetic properties, with a maximum magnetization of (0.0077, 0.0174, and 0.0322) emu/g and a coercivity of (169.9, 166.2, and 110.3) Oe at 2.5%, 5%, and 7.5% Cr 3+ concentrations, respectively. When using MEM electron density analysis, there is a substantial link between magnetic saturation and coercivity. SnS 2 substituted with 7.5% Cr 3+ exhibits the lowest interstitial charge, leading to a higher magnetic field. The analysis of cation deficiencies using XRD data is utilized to investigate optical absorption and energy gap manipulation. According to photoluminescence (PL) emission studies, the presence of Cr 3+ substitution has no direct effect on SnS 2 systems. Substitution of Cr 3+ in SnS 2 increases the vacancy/interstitial charge, resulting in an indirect link with photoluminescence (PL) output. Electron spin resonance (ESR) analysis reveals the presence of both interstitial and substitutional Cr 3+ ions. SEM/HRTEM with SAED reveals the polycrystalline nature of the samples with grains. The study revealed a link between charge buildup at substitutional and interstitial sites, bonding type and strength, and physical properties such as magnetic and optical properties.