Yadav, RaviBogdanov, Nikolay A.Katukuri, Vamshi M.Nishimoto, Satoshivan den Brink, JeroenHozoi, Liviu2017-01-032016Yadav, Ravi, Nikolay A. Bogdanov, Vamshi M. Katukuri, Satoshi Nishimoto, Jeroen van den Brink, and Liviu Hozoi. 2016. “Kitaev exchange and field-induced quantum spin-liquid states in honeycomb α-RuCl3.” Scientific Reports 6 (1): 37925. doi:10.1038/srep37925. http://dx.doi.org/10.1038/srep37925.2045-2322http://nrs.harvard.edu/urn-3:HUL.InstRepos:29739162Large anisotropic exchange in 5d and 4d oxides and halides open the door to new types of magnetic ground states and excitations, inconceivable a decade ago. A prominent case is the Kitaev spin liquid, host of remarkable properties such as protection of quantum information and the emergence of Majorana fermions. Here we discuss the promise for spin-liquid behavior in the 4d5 honeycomb halide α-RuCl3. From advanced electronic-structure calculations, we find that the Kitaev interaction is ferromagnetic, as in 5d5 iridium honeycomb oxides, and indeed defines the largest superexchange energy scale. A ferromagnetic Kitaev coupling is also supported by a detailed analysis of the field-dependent magnetization. Using exact diagonalization and density-matrix renormalization group techniques for extended Kitaev-Heisenberg spin Hamiltonians, we find indications for a transition from zigzag order to a gapped spin liquid when applying magnetic field. Our results offer a unified picture on recent magnetic and spectroscopic measurements on this material and open new perspectives on the prospect of realizing quantum spin liquids in d5 halides and oxides in general.en-USJournal Article2017-01-0310.1038/srep37925