Charge ordering and opening of spin gap in NaV_2O_5

TL;DR

This paper proposes that the phase transition in NaV_2O_5 at 34K is due to charge ordering involving V ions, leading to a spin gap, rather than a spin-Peierls transition, highlighting the role of lattice distortions.

Contribution

It introduces a charge ordering model for NaV_2O_5's phase transition, explaining the lattice doubling and spin gap formation through charge and lattice interactions.

Findings

Charge ordering occurs below T_c, forming a zigzag pattern of V^4+ ions.

Charge ordering causes alternation of spin exchange constants along b-direction.

Lattice distortions are crucial for charge order formation and spin-gap opening.

Abstract

We suggest that the phase transition observed in NaV_2O_5 at T_c = 34K is not a spin-Peierls transition, but a charge ordering transition, related to the formal presence in this system of equal number of V^4+ and V^4- ions. Below T_c, V^4+ ions form a zigzag structure, which is consistent with the experimentally observed doubling of the lattice period in a and b directions. We show that this charge ordering also results in the alternation of spin exchange constants along the b-direction, which opens a gap in the spin excitation spectrum. We emphasize the role of lattice distortions around V ions both in the formation of the charged ordered state and in the spin-gap opening.