Kitaev physics in the two-dimensional magnet NiPSe 3

Peng, Cheng; Mardanya, Sougata; Petsch, Alexander N.; Sharma, Vineet Kumar; Li, Shuyi; Jia, Chunjing; Bansil, Arun; Chowdhury, Sugata; Turner, Joshua J.

doi:10.1103/PhysRevResearch.6.033206

Kitaev physics in the two-dimensional magnet ${NiPSe}_{3}$

Journal Article · Thu Aug 22 00:00:00 EDT 2024 · Physical Review Research

DOI:https://doi.org/10.1103/PhysRevResearch.6.033206· OSTI ID:2434070

; Mardanya, Sougata; Petsch, Alexander N.; Sharma, Vineet Kumar; Li, Shuyi; ; Bansil, Arun; ;

The Kitaev interaction, found in candidate materials such as $α − {RuCl}_{3}$ , 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 $3 d$ 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 $3 d$ 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.

Published by the American Physical Society 2024

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-05CH11231; AC02-76SF00515; SC0022216

OSTI ID:: 2434070

Alternate ID(s):: OSTI ID: 2426368
OSTI ID: 2434008

Journal Information:: Physical Review Research, Journal Name: Physical Review Research Journal Issue: 3 Vol. 6; ISSN 2643-1564; ISSN PPRHAI

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Kitaev physics in the two-dimensional magnet NiPSe 3

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Kitaev physics in the two-dimensional magnet ${NiPSe}_{3}$