Crystalline structure and magnetic properties of pyrite FeS2

• Published in: AIP advances Vol. 11; no. 1; pp. 015131 - 015131-5
• Main Authors: Choi, Hyunkyung, Seo, Jae Yeon, Uhm, Young Rang, Sun, Gwang Min, Kim, Chul Sung
• Format: Journal Article
• Language: English
• Published: Melville American Institute of Physics 01.01.2021; AIP Publishing LLC
• Subjects: Crystal structure; Crystallinity; Cubic lattice; Diffraction patterns; Electrode materials; Hysteresis loops; Iron; Lattice parameters; Magnetic measurement; Magnetic properties; Medical materials; Mossbauer spectroscopy; Photovoltaic cells; Pyrite; Semiconductor materials; Solar cells; Spectrum analysis; Temperature; Temperature dependence; X-ray diffraction
• ISSN: 2158-3226; 2158-3226
• DOI: 10.1063/9.0000110

Iron pyrite (FeS2) has attracted significant attention as a promising inorganic material in various applications, such as electrode materials for high-energy batteries, medical diagnostics, semiconductor materials, and photovoltaic solar cells. In this study, we characterized the crystalline structure and magnetic properties of FeS2 using X-ray diffraction (XRD), vibrating sample magnetometry, and Mössbauer spectroscopy. The refined XRD patterns confirmed that the crystalline structure of FeS2 was cubic (Pa-3 space group) with lattice constant a0 = 5.417 Å. The temperature dependence of the zero-field-cooled and field-cooled curves and the hysteresis loops were measured at various temperatures between 4.2 and 295 K. The Mössbauer spectra collected in the temperature range of 4.2–500 K were fitted with one doublet. The ΔEQ values increased slightly with decreasing temperature owing to changes in the Fe–S distance. The charge state was determined to be Fe2+ based on the isomer shift (δ).