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- W3100763970 abstract "Using quantum chemistry calculations we shed fresh light on the electronic structure and magnetic properties of RuCl3, a proposed realization of the honeycomb Kitaev spin model. It is found that the nearest-neighbor Kitaev exchange K is weaker than in 5d5 Ir oxides but still larger than other effective spin couplings. The electronic-structure computations also indicate a ferromagnetic K in the halide, which is supported by a detailed analysis of the field-dependent magnetization. From exact-diagonalization calculations for extended Kitaev-Heisenberg Hamiltonians we additionally find that a transition from zigzag order to a spin-liquid ground state can be induced in RuCl3 with external magnetic field." @default.
- W3100763970 created "2020-11-23" @default.
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- W3100763970 date "2016-11-30" @default.
- W3100763970 modified "2023-10-16" @default.
- W3100763970 title "Kitaev exchange and field-induced quantum spin-liquid states in honeycomb α-RuCl3" @default.
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- W3100763970 doi "https://doi.org/10.1038/srep37925" @default.
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