Journal
PHYSICAL REVIEW B
Volume 97, Issue 24, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.97.241108
Keywords
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Funding
- DFG [SFB 1143, WO 1532/3-2]
- European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant [796048]
- CONICET
- Gordon and Betty Moore Foundation EPiQS Initiative [GBMF4416]
- U.S. Department of Energy, Basic Energy Sciences, Scientific User Facilities Division [DE-AC0500OR22725]
- Oak Ridge National Laboratory
- Marie Curie Actions (MSCA) [796048] Funding Source: Marie Curie Actions (MSCA)
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Magnetization and high-resolution x-ray diffraction measurements of the Kitaev-Heisenberg material alpha-RuCl3 reveal a pressure-induced crystallographic and magnetic phase transition at a hydrostatic pressure of p similar to 0.2GPa. 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 4d-4d 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 a-RuCl3 strongly competes with the crystallization of spin singlets into a valence bond solid.
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