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Physica B Condensed Matter

Numerical study of the Kitaev-Heisenberg chain

Cliò Efthimia Agrapidis, Jeroen van den Brink, Satoshi Nishimoto

Published Sep 19, 2017• 1 citation
Publisher
DOI
10.1016/j.physb.2017.09.056

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We study the one-dimensional Kitaev-Heisenberg model as a possible realization of magnetic degrees of freedom of the K-intercalated honeycomb-lattice ruthenium trichloride α -RuCl 3 , denoted as K 0.5 RuCl m . First, we discuss the possible charge ordering patterns in K 0.5 RuCl m , where half of the spins are replaced by nonmagnetic ions in the honeycomb layer. The phase diagram is obtained as a function of nearest-, second-, and third-neighbor repulsions in the atomic limit. We find a strong competition between possible three charge ordering patterns when the repulsions are comparable. We further calculate the spin-spin correlation functions for the 1D Kitaev-Heisenberg model, which is one of the ordering patterns, and consider the effect of the Kitaev term by comparing the results to those for the antiferromagnetic SU(2) Heisenberg chain.
In this work, we perform a combination of analytical and numerical studies on the phase diagram of the spin-1/2 Kitaev-Heisenberg chain in the region of negative Kitaev and positive Heisenberg couplings. Apart from the antiferromagnetic phase, we find a magnetically ordered phase with left-left-right-right order and a gapless phase with central charge value c=1c=1c=1, resolving the existing contradictory results in literature regarding this parameter region. In particular, the origin of the left-left-right-right order is clarified based on a perturbative Luttinger liquid analysis. The left-left-right-right phase is further shown to persist in the Kitaev-Heisenberg-Gamma model when a small nonzero Gamma interaction is introduced. Using a coupled-chain method, we also demonstrate that the one-dimensional (1D) left-left-right-right order gives a quasi-1D explanation for the 2D stripy order of the same model on the honeycomb lattice.
Recently, it has been proposed that higher-spin analogs of the Kitaev interactions K>0K>0K>0 may also occur in a number of materials with strong Hund's and spin-orbit coupling. In this work, we use Lanczos diagonalization and density matrix renormalization group methods to investigate numerically the S=1S=1S=1 Kitaev-Heisenberg model. The ground-state phase diagram and quantum phase transitions are investigated by employing local and nonlocal spin correlations. We identify two ordered phases at negative Heisenberg coupling J<0J<0J<0: a ferromagnetic phase with $\ensuremath{\langle}{S}_{i}^{z}{S}_{i+1}^{z}\ensuremath{\rangle}>0$ and an intermediate left-left-right-right phase with $\ensuremath{\langle}{S}_{i}^{x}{S}_{i+1}^{x}\ensuremath{\rangle}\ensuremath{\ne}0$. A quantum spin liquid is stable near the Kitaev limit, while a topological Haldane phase is found for J>0J>0J>0.