Xenon iron oxides predicted as potential Xe hosts in Earth's lower mantle.

ABSTRACT: 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 velocities validate Xe-Fe oxides

SUBMITTER: Peng F 

PROVIDER: S-EPMC7568531 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature