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Lattice distortion due to octahedral rotation and distortion are highfocussed, and it produces profound effect on a material's properties, such asits bandgap, magnetism and optical properties etc. Rutile-type \b{eta}-MnO2 isa wide used non-Perovskite magnetic material with octahedrons. Wesystematically studied its stability, electronic structures, magneticstructures, and optical properties within 0-100 GPa with density-functionaltheory (DFT). We find that the competition between bondlength and bonding angleleads its bandgap enlarging or shrinking within in the Pnnm phase withincreasing pressure, because of the interaction of Mn-d and O-p states. We alsofind same pressure indused bandgap evolutions in the Pnnm phases of SiO2, GeO2,SnO2 and PbO2. The different ways of octahedral connection in Pnnm phase andPa-3 phase leads to an interesting pressure-induced bandgap enlarging. And inthe Pa-3 phase, the band gap can be tuned to 1.34 eV by pressure to meet theShockley-Queisser limit. Moreover the two high pressure phases can be quenchedto ambient pressure. Together with its mechanical, optical andantiferromagnetic properties, it ensures MnO2's application as a photovoltaicmaterial for all working condition with multi-purpose. This study extendsMnO2's application and give some new mechanism of pressure induced bandgapenlargement.

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