Physical Sciences and Mathematics Commons^™

Xenon Iron Oxides Predicted As Potential Xe Hosts In Earth’S Lower Mantle, Feng Peng, Xianqi Song, Chang Liu, Quan Li, Maosheng Miao, Changfeng Chen, Yanming Ma

Physics & Astronomy Faculty Research

An enduring geological mystery concerns the missing xenon problem, referring to the abnormally low concentration of xenon compared to other noble gases in Earth’s atmosphere. Identifying mantle minerals that can capture and stabilize xenon has been a great challenge in materials physics and xenon chemistry. Here, using an advanced crystal structure search algorithm in conjunction with first-principles calculations we find reactions of xenon with recently discovered iron peroxide FeO2, forming robust xenon-iron oxides Xe2FeO2 and XeFe3O6 with significant Xe-O bonding in a wide range of pressure-temperature conditions corresponding to vast regions in Earth’s lower mantle. Calculated mass density and sound …