First-principles investigation of the electronic, magnetic, optical, UV optoelectronic, and thermoelectric properties of the fluoroperovskite NiAgF3

Key Points

• Significant findings highlight the unique electronic properties of NiAgF3, indicating potential for use in advanced materials.
• The analysis demonstrates thermoelectric behavior with promising efficiency metrics, supporting energy applications.
• First-principles investigation offers detailed insights into the optical and magnetic properties of NiAgF3 for optoelectronic uses.
• Understanding these properties may lead to new advancements in thermoelectric devices and energy efficiency.