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The high-pressure phases of FeO and MnO were studied by the first principlescalculations. The present theoretical study predicts that the high-pressurephase of MnO is a metallic normal B8 structure (nB8), while that of FeO shouldtake the inverse B8 structure (iB8). The novel feature of the uniquehigh-pressure phase of stoichiometric FeO is that the system should be a bandinsulator in the ordered antiferromagnetic (AF) state and that the existence ofa band gap leads to special stability of the phase. The observed metallicity ofthe high-pressure and high-temperature phase of FeO may be caused by the lossof AF order and also by the itinerant carriers created by non-stoichiometry.Analysis of x-ray diffraction experiments provides a further support to thepresent theoretical prediction for both FeO and MnO. Strong stability of thehigh-pressure phase of FeO will imply possible important roles in Earth's core.Comment: 7 pages, 3 figures and 1 table; submitted to "Nature

Inverse versus Normal NiAs Structures as High-Pressure Phases of FeO and MnO