Interplay of Magnetism, Band Gap Tuning, Optical, and Thermoelectric Responses in Fe-Doped YMnO${}_3$: Insights from First-Principles Calculations

Kazi Mazba Kamal, Alamgir Kabir

The hexagonal multiferroic oxide YMnO${}_3$ has demonstrated applications in various fields and is widely researched due to its interesting properties. Since Mn(3d)--O(2p) interactio…