S=1/2 chains and spin-Peierls transition in TiOCl

Details S=1/2 chains and spin-Peierls transition in TiOCl S=1/2 chains and spin-Peierls transition in TiOCl

2002-06-19

arxiv.org/abs/cond-mat/0206374v4

Phys. Rev. B 67, 020405(R) (2003)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 5 figures (color); details on crystal growth added; to be published in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.67.020405

We study TiOCl as an example of an S=1/2 layered Mott insulator. From our analysis of new susceptibility data, combined with LDA and LDA+U band structure calculations, we conclude that orbital ordering produces quasi-one-dimensional spin chains and that TiOCl is a new example of Heisenberg-chains which undergo a spin-Peierls transition. The energy scale is an order of magnitude larger than that of previously known examples. The effects of non-magnetic Sc impurities are explained using a model of broken finite chains.

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