Connection between Bandgap Evolution and Strains of Octahedron in non-Perovskite \b{eta}-MnO2 under pressure: A First Principle Study

L. Li, K. Bao, H. Xie +6

Lattice distortion due to octahedral rotation and distortion are high focussed, and it produces profound effect on a material's properties, such as its bandgap, magnetism and optic…