Probing defect induced room temperature ferromagnetism in Chemical Vapor Deposition grown MoO3 flakes: A correlation with electronic structure and first principle-based calculations

• Published in: Journal of alloys and compounds 2024-04, Vol.980, p.173650, Article 173650
• Main Authors: Dey, Sharmistha, Mishra, Vikash, Dhakar, Neetesh, Kumar, Sunil, Srivastava, Pankaj, Ghosh, Santanu
• Format: Article
• Language: English
• Subjects: Annealing; Defects; MoO3-flakes; Oxygen vacancies; Room temperature ferromagnetism
• ISSN: 0925-8388; 1873-4669
• DOI: 10.1016/j.jallcom.2024.173650

The pure α-MoO3 microflakes grown by the Chemical Vapor Deposition (CVD) technique are annealed at various temperatures (150 °C, 250 °C, and 350 °C) in a hydrogen (H2) atmosphere to induce ferromagnetism. All the samples exhibit ferromagnetism at room temperature, and the 250 °C annealed sample shows the highest magnetization of 0.087 emu/g. The presence of oxygen vacancies, verified through the analysis of X-ray photoelectron spectroscopy (XPS) and the Electron Probe Microanalyzer (EPMA) data, was found to be the main cause of the origin of ferromagnetism. A one-to-one correspondence is found between the concentration of oxygen vacancies and the magnetic moment, which is corroborated by first-principle-based calculations. The study suggests that the incorporation of H in the MoO3 matrix and the formation of HxMoO3 and MoO2, are other factors that influence ferromagnetism. [Display omitted] •Tailoring ferromagnetism in α-MoO3 by annealing in H2 environment.•Pristine and H2 annealed samples are ferromagnetic at room temperature.•One-to-one correspondence between magnetization and oxygen vacancy concentration.•Incorporation of H in MoO3 matrix and MoO2 formation also influence ferromagnetism.•Observed experimental results are in broad agreement with DFT-based calculations.