Theoretical study of the magnetism in the incommensurate phase of TiOCl

Abstract

Going beyond a recently proposed microscopic model for the incommensurate transition in the spin-Peierls TiOX (X=Cl, Br) compounds, in the present work we start by studying the thermodynamics of the model with XY spins and adiabatic phonons. We find that the system enters in an incommensurate phase by a first order transition at a low temperature $T_{c1}$. At a higher temperature $T_{c2}$ a continuous transition to a uniform phase is found. Furthermore, we study the magnetism in the incommensurate phase by Density Matrix Renormalization Group (DMRG) calculations on a 1D Heisenberg model where the exchange is modulated by the incommensurate atomic position pattern. When the wave vector $q$ of the modulation is near $\pi$, we find local magnetized zones (LMZ) in which spins get free from their singlets as a result of the domain walls induced by the modulated distortion. When $q$ moves away enough from $\pi$, the LMZ disappear and the system develops incommensurate magnetic correlations induced by the structure. We discuss the relevance of this result regarding to previous and future experiments in TiOCl.

4 pages, 3 figures

References in corpus (5)

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• X-ray Scattering Study of the spin-Peierls transition and soft phonon behavior in TiOCl
• The spin-Peierls transition beyond the adiabatic approximation
• Microscopic theory for the incommensurate transition in TiOCl
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