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Strain- and pressure-tuned magnetic interactions in honeycomb Kitaev materials

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Hozoi,  L.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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van den Brink,  J.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Quantum Many-Body Theory (Walter Metzner), Max Planck Institute for Solid State Research, Max Planck Society;

Jackeli,  G.
Max Planck Society;

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Citation

Yadav, R., Rachel, S., Hozoi, L., van den Brink, J., & Jackeli, G. (2018). Strain- and pressure-tuned magnetic interactions in honeycomb Kitaev materials. Physical Review B, 98(12): 121107(R).


Cite as: https://hdl.handle.net/21.11116/0000-000E-D510-F
Abstract
A range of honeycomb-lattice compounds has been proposed and investigated in the search for a topological Kitaev spin liquid. However, sizable Heisenberg interactions and additional symmetry-allowed exchange anisotropies in the magnetic Hamiltonian of these potential Kitaev materials push them away from the pure Kitaev spin-liquid state. Particularly the Kitaev-to-Heisenberg coupling ratio is essential in this respect. With the help of advanced quantum-chemistry methods, we explore how the magnetic coupling ratios depend on strain and pressure in several honeycomb compounds (Na2IrO3, beta-Li2IrO3, and alpha-RuCl3). We find that the Heisenberg and Kitaev terms are affected differently: For strain, in particular, the Heisenberg component decreases more rapidly than the Kitaev counterpart. This provides a scenario where strain can stabilize a spin liquid in such materials.