Maximized K/J ratio and cubiclike jeff= 12 moments in a noncubic environment in α-RuCl3 under pressure
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Contributors
Abstract
Maximization of the ratio between Kitaev and residual Heisenberg interactions is a major goal in the current research on Kitaev-Heisenberg magnets. Here we investigate Kitaev-Heisenberg exchange in a recently discovered crystalline phase of α-RuCl3 under pressure - it displays unusually high symmetry, with only one type of Ru-Ru links and uniform Ru-Cl-Ru bond angles of ≈93∘. Using quantum chemical calculations, we find a very small nearest-neighbor Heisenberg J, which yields a K/J ratio between Kitaev and Heisenberg exchange as large as ∼100. We also find that this is associated with vanishingly small d-shell trigonal splittings, i.e., minimal departure from ideal jeff=1/2 moments. This reconfirms RuCl3 as a most promising platform for materializing the much sought-after Kitaev spin-liquid phase and should stimulate further experiments under strain and pressure.
Details
Original language | English |
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Article number | L161107 |
Journal | Physical Review B |
Volume | 108 |
Issue number | 16 |
Publication status | Published - 15 Oct 2023 |
Peer-reviewed | Yes |
External IDs
ORCID | /0000-0002-2438-0672/work/158767749 |
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