Antiferromagnetic structure of alkali metal superoxide CsO$_2$

Abstract

We have performed a powder neutron diffraction study on CsO$_2$, where the unpaired electron with $s=1/2$ in the $\pi^*$ orbital of the O$_2^-$ ion is responsible for the magnetism. The magnetic reflections 0 $\frac{1}{2}$ 0 and 0 $\frac{1}{2}$ 1 were observed below the N\'{e}el temperature of about 10 K. An antiferromagnetic structure with a propagation vector of (0 ,$\frac{1}{2}$, 0) and magnetic moments parallel to the $a$-axis is the most plausible. The magnitude of the ordered moment is about 0.2 $\mu_B$, which is considered to be strongly suppressed due to the one-dimensionality of the system. We propose a possible $\pi^*$ orbital order that can explain the obtained magnetic structure, and discuss its relation to the one-dimensionality.