Structural, electronic, and optical properties of CaCoSi2O6 and Ca2CoSi2O7 blue pigments: A combined experimental, DFT+ U, and BSE study

RR Rafiq, MK Aminian, SY Vaselnia… - Journal of Solid State …, 2024 - Elsevier
The exceptional characteristics of pigments, such as their high thermal stability, affordable
production costs, and easy manufacturing procedures, are the reasons for their steady …

First principles study of electronic structure, magnetism and ferroelectric properties of rhombohedral AgFeO2

J Chakraborty, I Dasgupta - Journal of Magnetism and Magnetic Materials, 2019 - Elsevier
Using first principles calculation in the framework of density functional theory we have
investigated the electronic structure, magnetism and ferroelectric polarization in the …