Optoelectronics and Magnetic properties calculation of RE2MnNiO6 (RE=La-Lu,Y) using Density Functional Theory
This study employs DFT+U calculations to systematically investigate the electronic, magnetic, and optoelectronic properties of the RE2NiMnO6 double-perovskite series, revealing how lanthanide contraction-induced octahedral distortions and the specific treatment of RE 4f electrons collectively govern the material's spin-channel asymmetry and functional potential.