A first-principles study on the structural, electronic, magnetic and optical properties of lithium zinc ferrite Li 1− x Zn 2 x Fe 5− x O 8

Key Points

• This research aims to explore the structural, electronic, magnetic, dielectric, and optical properties of lithium-zinc ferrite solid solutions.
• Performed first-principles calculations on Li1−xZn2xFe5−xO8 with varying x values (0, 0.25, 0.5, 0.75, 1)
• Analyzed structural, electronic, magnetic, dielectric, and optical properties based on computational data.
• Explored implications for potential optical device applications.
• Identified changes in structural and electronic properties with varying x values.
• Highlighted significant magnetic and optical characteristics conducive to device applications.