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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.
Electronic structure calculations on the low dimensional spin-1/2 compound TiOCl were performed at several pressures in the orthorhombic phase, finding that the structure is quasi-one-dimensional. The Ti3+ (d1) ions have one t2g orbital occupied (dyz
Neutron scattering studies on powder and single crystals have provided new evidences for unconventional magnetism in Cu2Te2O5Cl2. The compound is built from tetrahedral clusters of S=1/2 Cu2+ spins located on a tetragonal lattice. Magnetic ordering,
Two phase transitions in the tetragonal strongly correlated electron system CeNiAsO were probed by neutron scattering and zero field muon spin rotation. For $T <T_{N1}$ = 8.7(3) K, a second order phase transition yields an incommensurate spin density
Using the recently developed N-th order muffin-tin orbital-based downfolding technique in combination with the Dynamical Mean Field theory, we investigate the electronic properties of the much discussed Mott insulator TiOCl in the undimerized phase.
Layered pnictide materials have provided a fruitful platform to study various emergent phenomena, including superconductivity, magnetism, charge density waves, etc. Here we report the observation of structural distortion and noncollinear magnetism in