Equation of state of FeO2

Abstract Electronic and elastic properties of recently discovered FeO 2 were studied using ab initio band structure calculations within the generalized gradient approximation (GGA). This novel oxide can be one of the constituents of the Earth’s lower mantle. We found that electronic structure of FeO 2 practically does not change in the pressure range 76–290 GPa. The bulk modulus ( B 0 ) of FeO 2 is 280 GPa and is of order of magnitude of B 0 in perovskite (Mg, Fe) SiO 3 and SiO 2 .