Abstract
Does the quasi one-dimensional titanium pyroxene NaTiSi2O6 exhibit the novel {\it orbital-Peierls} state? We calculate its groundstate properties by three methods: Monte Carlo simulations, a spin-orbital decoupling scheme and a mapping onto a classical model. The results show univocally that for the spin and orbital ordering to occur at the same temperature --an experimental observation-- the crystal field needs to be small and the orbitals are active. We also find that quantum fluctuations in the spin-orbital sector drive the transition, explaining why canonical bandstructure methods fail to find it. The conclusion that NaTiSi2O6 shows an orbital-Peierls transition is therefore inevitable.
Connections
Explore this paper’s authors, topics and related work.
Building this map preview
BZPEER is loading the nearby papers, people, topics and institutions for this page.
Reviews 0
Write a review
No reviews yet.
Discussion 0
Add a comment
No comments yet.