Magnetoelastic nature of solid oxygen epsilon-phase structure

Abstract

For a long time a crystal structure of high-pressure epsilon-phase of solid oxygen was a mistery. Basing on the results of recent experiments that have solved this riddle we show that the magnetic and crystal structure of epsilon-phase can be explained by strong exchange interactions of antiferromagnetic nature. The singlet state implemented on quaters of O2 molecules has the minimal exchange energy if compared to other possible singlet states (dimers, trimers). Magnetoelastic forces that arise from the spatial dependence of the exchange integral give rise to transformation of 4(O2) rhombuses into the almost regular quadrates. Antiferromagnetic character of the exchange interactions stabilizes distortion of crystal lattice in epsilon-phase and impedes such a distortion in long-range alpha- and delta-phases.