Abstract
Magnetization and high-resolution x-ray diffraction measurements of the Kitaev-Heisenberg material reveal a pressure-induced crystallographic and magnetic phase transition at a hydrostatic pressure of GPa. This structural transition into a triclinic phase is characterized by a very strong dimerization of the Ru-Ru bonds, accompanied by a collapse of the magnetic susceptibility. Ab initio quantum-chemistry calculations disclose a pressure-induced enhancement of the direct bonding on particular Ru-Ru links, causing a sharp increase of the antiferromagnetic exchange interactions. These combined experimental and computational data show that the Kitaev spin-liquid phase in strongly competes with the crystallization of spin singlets into a valence bond solid.
- Received 26 January 2018
DOI:https://doi.org/10.1103/PhysRevB.97.241108
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Published by the American Physical Society