Kavli Affiliate: Cheng Peng
| First 5 Authors: Cheng Peng, Sougata Mardanya, Alexander N. Petsch, Vineet Kumar Sharma, Shuyi Li
| Summary:
The Kitaev interaction, found in candidate materials such as
$alpha$-RuCl$_3$, occurs through the metal ($M$)-ligand ($X$)-metal ($M$)
paths of the edge-sharing octahedra because the large spin-orbit coupling (SOC)
on the metal atoms activates directional spin interactions. Here, we show that
even in $3d$ transition-metal compounds, where the SOC of the metal atom is
negligible, heavy ligands can induce bond-dependent Kitaev interactions. In
this work, we take as an example the $3d$ transition-metal chalcogenophosphate
NiPSe$_3$ and show that the key is found in the presence of a sizable SOC on
the Se $p$ orbital, one which mediates the super-exchange between the
nearest-neighbor Ni sites. Our study provides a pathway for engineering
enhanced Kitaev interactions through the interplay of SOC strength, lattice
distortions, and chemical substitutions.
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