Raman study of the structural transition in LiVO$_2$

Abstract

The results of polarization-dependent Raman spectroscopy of single-crystalline LiVO$_2$ exhibiting transition to a diamagnetic state below $T_c \sim $500K are reported. Our measurements clearly detect additional peaks in the low-temperature phase, which disappear nearly completely when heated above $T_c$. Proposed $\sqrt{3}$a \times $\sqrt{3}$a lattice reconstruction explains these new Raman peaks by the Brillouin zone folding. The experiment, on the one hand, confirms that the symmetry of the non-magnetic phase is not lower than trigonal, but, on another hand, our thermal cycling study suggests possible stacking faults. This agrees with results of the density functional theory calculations, which show that the energy difference between different types of stacking does not exceed 1 K per formula unit.