2008/06/02 by S. Blanco-Canosa, F. Rivadulla, A. Piñeiro +10
Chemistry · Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Chemistry #Condensed matter physics #Diffraction #High pressure #Inorganic Chemistry and Materials #Ion #Iron-based superconductors research #Materials science #Metal #Phase (matter) #Physics #Spin (aerodynamics) #Spin crossover #Thermodynamics #cond-mat.str-el
paper · pdf · doi:10.1103/physrevlett.102.056406
9pages, 4 figures
arxiv created 2008/06/02 · openalex publication_date 2009/02/06 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We report x-ray diffraction and magnetization measurements under pressure combined with ab initio calculations to show that high-pressure TiOCl corresponds to an enhanced Ti3+-Ti3+ dimerized phase existing already at room temperature. Our results demonstrate the formation of a metal-metal bond between Ti3+ ions along the b axis of TiOCl, accompanied by a strong reduction of the electronic gap. The evolution of the dimerization with pressure suggests a crossover from the spin-Peierls to a conventional Peierls situation at high pressures.