Abstract
We investigated the magnetic and structural properties of the quasi-one-dimensional 3 quantum chain system TiPO ( 965 K) by magnetic susceptibility, heat capacity, electron spin resonance, x-ray diffraction, and nuclear magnetic resonance (NMR) measurements, and by density functional theory (DFT) calculations. TiPO undergoes two magnetostructural phase transitions, one at 111 K and the other at 74 K. Below 74 K, NMR detects two different signals and the magnetic susceptibility vanishes, while DFT calculations evidence a bond alternation of the Ti-Ti distances within each chain. Thus, the 74 K phase transition is a spin-Peierls transition which evolves from an incommensurate phase existing between 111 and 74 K.
- Received 28 February 2011
DOI:https://doi.org/10.1103/PhysRevB.83.180414
©2011 American Physical Society