Zigzag magnetic order and possible Kitaev interactions in the spin-1 honeycomb lattice KNiAsO 4

Taddei, K. M.; Garlea, V. O.; Samarakoon, A. M.; Sanjeewa, L. D.; Xing, J.; Heitmann, T. W.; dela Cruz, C.; Sefat, A. S.; Parker, D.

doi:10.1103/PhysRevResearch.5.013022

Title: Zigzag magnetic order and possible Kitaev interactions in the spin-1 honeycomb lattice ${KNiAsO}_{4}$

Abstract

Despite the exciting implications of the Kitaev spin Hamiltonian, finding and confirming the quantum spin-liquid state have proven incredibly difficult. Recently, the applicability of the model has been expanded through the development of a microscopic description of a spin-1 Kitaev interaction. Here we explore a candidate spin-1 honeycomb system, KNiAsO₄, which meets many of the proposed criteria to generate such an interaction. Bulk measurements reveal an antiferromagnetic transition at ~19 K which is generally robust to applied magnetic fields. Neutron diffraction measurements show magnetic order with a k=$$(\frac{3}{2},0,0)$$ ordering vector which results in the well-known “zigzag” magnetic structure thought to be adjacent to the spin-liquid ground state. Field-dependent diffraction shows that while the structure is robust, the field can tune the direction of the ordered moment. Inelastic neutron scattering experiments show a well-defined gapped spin-wave spectrum with no evidence of the continuum expected for fractionalized excitations. Modeling of the spin waves shows that the extended Kitaev spin Hamiltonian is are generally necessary to model the spectra and reproduce the observed magnetic order. First-principles calculations suggest that the substitution of Pd on the Ni sublattice may strengthen the Kitaev interactions while simultaneously weakening the exchange interactions thus pushing KNiAsO₄ closer to the spin-liquid ground state.

Authors:

; Garlea, V. O.; Samarakoon, A. M.; Sanjeewa, L. D.; Xing, J.; Heitmann, T. W.; dela Cruz, C.; Sefat, A. S.; Parker, D.

Publication Date:: Wed Jan 18 00:00:00 EST 2023

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; University of Missouri Research Council

OSTI Identifier:: 1909734

Alternate Identifier(s):: OSTI ID: 1923151

Grant/Contract Number:: AC05-00OR22725; FG02-13ER41967; URC-22-021

Resource Type:: Published Article

Journal Name:: Physical Review Research

Additional Journal Information:: Journal Name: Physical Review Research Journal Volume: 5 Journal Issue: 1; Journal ID: ISSN 2643-1564

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; magnetic order; magnons; quantum spin liquid; honeycomb lattice; density functional theory; Kitaev-Heisenberg model; neutron scattering

Citation Formats


                    Taddei, K. M., Garlea, V. O., Samarakoon, A. M., Sanjeewa, L. D., Xing, J., Heitmann, T. W., dela Cruz, C., Sefat, A. S., and Parker, D. Zigzag magnetic order and possible Kitaev interactions in the spin-1 honeycomb lattice KNiAsO 4.  United States: N. p., 2023. 
Web.  doi:10.1103/PhysRevResearch.5.013022.

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                    Taddei, K. M., Garlea, V. O., Samarakoon, A. M., Sanjeewa, L. D., Xing, J., Heitmann, T. W., dela Cruz, C., Sefat, A. S., & Parker, D. Zigzag magnetic order and possible Kitaev interactions in the spin-1 honeycomb lattice KNiAsO 4.  United States.  https://doi.org/10.1103/PhysRevResearch.5.013022

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                    Taddei, K. M., Garlea, V. O., Samarakoon, A. M., Sanjeewa, L. D., Xing, J., Heitmann, T. W., dela Cruz, C., Sefat, A. S., and Parker, D. Wed .  
"Zigzag magnetic order and possible Kitaev interactions in the spin-1 honeycomb lattice KNiAsO 4".  United States.  https://doi.org/10.1103/PhysRevResearch.5.013022.

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@article{osti_1909734,

  title        = {Zigzag magnetic order and possible Kitaev interactions in the spin-1 honeycomb lattice KNiAsO 4},

  author       = {Taddei, K. M. and Garlea, V. O. and Samarakoon, A. M. and Sanjeewa, L. D. and Xing, J. and Heitmann, T. W. and dela Cruz, C. and Sefat, A. S. and Parker, D.},

  abstractNote = {Despite the exciting implications of the Kitaev spin Hamiltonian, finding and confirming the quantum spin-liquid state have proven incredibly difficult. Recently, the applicability of the model has been expanded through the development of a microscopic description of a spin-1 Kitaev interaction. Here we explore a candidate spin-1 honeycomb system, KNiAsO4, which meets many of the proposed criteria to generate such an interaction. Bulk measurements reveal an antiferromagnetic transition at ~19 K which is generally robust to applied magnetic fields. Neutron diffraction measurements show magnetic order with a k=$(\frac{3}{2},0,0)$ ordering vector which results in the well-known “zigzag” magnetic structure thought to be adjacent to the spin-liquid ground state. Field-dependent diffraction shows that while the structure is robust, the field can tune the direction of the ordered moment. Inelastic neutron scattering experiments show a well-defined gapped spin-wave spectrum with no evidence of the continuum expected for fractionalized excitations. Modeling of the spin waves shows that the extended Kitaev spin Hamiltonian is are generally necessary to model the spectra and reproduce the observed magnetic order. First-principles calculations suggest that the substitution of Pd on the Ni sublattice may strengthen the Kitaev interactions while simultaneously weakening the exchange interactions thus pushing KNiAsO4 closer to the spin-liquid ground state.},

  doi          = {10.1103/PhysRevResearch.5.013022},

  journal      = {Physical Review Research},

  number       = 1,

  volume       = 5,

  place        = {United States},

  year         = {Wed Jan 18 00:00:00 EST 2023},

  month        = {Wed Jan 18 00:00:00 EST 2023}

}

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Antiferromagnetic Mott insulating state in single crystals of the honeycomb lattice material ${Na}_{2} {IrO}_{3}$
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�ber das glimmerartige Kaliumnickel(II)-monoarsenat KNiAsO4
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Ladwig, G.; Ziemer, B.
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Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe2As2 under pressure
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Title: Zigzag magnetic order and possible Kitaev interactions in the spin-1 honeycomb lattice KNiAsO 4

Abstract

Citation Formats

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The brittle mica-like KNiAsO4 and its organic derivatives journal, June 1982

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The Magnetic Structure of KNiAsO4: A Two-Dimensional Honeycomb Lattice journal, July 1994

Large Positive Zero-Field Splitting in the Cluster Magnet Ba 3 CeRu 2 O 9 journal, May 2019

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Fractionalized Fermi Liquids journal, May 2003

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The Resonating Valence Bond State in La2CuO4 and Superconductivity journal, March 1987

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Spin-1 Kitaev-Heisenberg model on a honeycomb lattice journal, September 2020

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Anyons in an exactly solved model and beyond journal, January 2006

Concept and realization of Kitaev quantum spin liquids journal, March 2019

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Quantum spin liquids journal, January 2020

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Evidence of Ba-substitution induced spin-canting in the magnetic Weyl semimetal Eu Cd 2 As 2 journal, September 2020

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Title: Zigzag magnetic order and possible Kitaev interactions in the spin-1 honeycomb lattice ${KNiAsO}_{4}$

Excitation spectrum of spin-1 Kitaev spin liquids
journal, February 2022

Generalized Gradient Approximation Made Simple
journal, October 1996

Role of electronic excitation on the anomalous magnetism of elemental copper
journal, February 2022

Single pair of Weyl nodes in the spin-canted structure of EuCd2As2
journal, April 2022

Local-Ising-type magnetic order and metamagnetism in the rare-earth pyrogermanate ${Er}_{2} {Ge}_{2} O_{7}$
journal, January 2019

Spin-1/2 Kagomé -Like Lattice in Volborthite Cu ₃ V ₂ O ₇ (OH) ₂ ·2H ₂ O
journal, November 2001

Interplay of local moment and itinerant magnetism in cobalt-based Heusler ferromagnets: ${Co}_{2} TiSi, {Co}_{2} MnSi$ and ${Co}_{2} FeSi$
journal, January 2020

Milestones of low-D quantum magnetism
journal, March 2018

Proximate ferromagnetic state in the Kitaev model material α-RuCl3
journal, July 2021

Kitaev materials
journal, March 2022

Spin Reorientation in ${TlFe}_{1.6} {Se}_{2}$ with Complete Vacancy Ordering
journal, August 2012

Probing topological spin liquids on a programmable quantum simulator
journal, December 2021

Quantum spin liquids: a review
journal, November 2016

Quantum orders and symmetric spin liquids
journal, April 2002

Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material ${LiGaCr}_{4} S_{8}$
journal, April 2018

Spin waves and Dirac magnons in a honeycomb-lattice zigzag antiferromagnet BaNi2(AsO4)2
journal, December 2021

Ion-exchange reactions and physical properties of the mica analogue KNiAsO4
journal, August 1987

Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993

Spin- $S$ Kitaev model: Classical ground states, order from disorder, and exact correlation functions
journal, September 2008

Tensor network wave function of $S = 1$ Kitaev spin liquids
journal, August 2020

Excitation Spectrum and Superexchange Pathways in the Spin Dimer ${VODPO}_{4} ̇ \frac{1}{2} D_{2} O$
journal, June 1997

Polarized neutron scattering on HYSPEC: the HYbrid SPECtrometer at SNS
journal, June 2017

Magnetic Field Effect on Topological Spin Excitations in ${CrI}_{3}$
journal, August 2021

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011

Magnetic order effects on the electronic structure of KMMnS2(M=Cu,Li) with the ThCr2Si2 -type structure
journal, April 2019

MoP3SiO11 : A 4d3 honeycomb antiferromagnet with disconnected octahedra
journal, September 2021

Magnetic Hamiltonian and phase diagram of the quantum spin liquid ${Ca}_{10} {Cr}_{7} O_{28}$
journal, May 2017

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method
journal, January 1997

Heat Transport in Herbertsmithite: Can a Quantum Spin Liquid Survive Disorder?
journal, December 2021

Long-range and short-range ordering in 2D honeycomb-lattice magnet Na2Ni2TeO6
journal, April 2020

The brittle mica-like KNiAsO₄ and its organic derivatives
journal, June 1982

Linear spin wave theory for single-Q incommensurate magnetic structures
journal, March 2015

Theoretical study on the role of dynamics on the unusual magnetic properties in MnBi
journal, November 2014

The Magnetic Structure of KNiAsO4: A Two-Dimensional Honeycomb Lattice
journal, July 1994

Large Positive Zero-Field Splitting in the Cluster Magnet Ba ₃ CeRu ₂ O ₉
journal, May 2019

Discovery of ferromagnetism with large magnetic anisotropy in ZrMnP and HfMnP
journal, August 2016

Suppression of the antiferromagnetic metallic state in the pressurized $MnB i_{2} T e_{4}$ single crystal
journal, September 2019

Fractionalized Fermi Liquids
journal, May 2003

Magnetoelastic coupling, negative thermal expansion, and two-dimensional magnetic excitations in FeAs
journal, March 2021

The Resonating Valence Bond State in La2CuO4 and Superconductivity
journal, March 1987

Tunable magnetic order in low-symmetry ${SeO}_{3}$ ligand linked $T M_{3} {({SeO}_{3})}_{3} H_{2} O$ ( $T M = Mn$ , Co, and Ni) compounds
journal, February 2020

Extended magnetic exchange interactions in the high-temperature ferromagnet MnBi
journal, May 2016

Zigzag Magnetic Order in the Iridium Oxide ${Na}_{2} {IrO}_{3}$
journal, February 2013

Spin-1 Kitaev-Heisenberg model on a honeycomb lattice
journal, September 2020

Proximate Kitaev quantum spin liquid behaviour in a honeycomb magnet
journal, April 2016

Anyons in an exactly solved model and beyond
journal, January 2006

Concept and realization of Kitaev quantum spin liquids
journal, March 2019

Magnetic properties of the honeycomb oxide ${Na}_{2} {Co}_{2} {TeO}_{6}$
journal, December 2016

Quantum spin liquids
journal, January 2020

Experimental identification of quantum spin liquids
journal, April 2019

Anisotropic susceptibilities in the honeycomb Kitaev system $α - {RuCl}_{3}$
journal, September 2018

Robustness of the thermal Hall effect close to half-quantization in α-RuCl3
journal, February 2022

Evidence of Ba-substitution induced spin-canting in the magnetic Weyl semimetal $Eu {Cd}_{2} {As}_{2}$
journal, September 2020

Disorder-Induced Mimicry of a Spin Liquid in ${YbMgGaO}_{4}$
journal, October 2017

Nanomagnetic Droplets and Implications to Orbital Ordering in ${La}_{1 - x} {Sr}_{x} {CoO}_{3}$
journal, January 2006

Magnetic order in $α - {RuCl}_{3}$ : A honeycomb-lattice quantum magnet with strong spin-orbit coupling
journal, April 2015

A-type antiferromagnetic order in ${MnBi}_{4} {Te}_{7}$ and ${MnBi}_{6} {Te}_{10}$ single crystals
journal, May 2020

Publisher’s Note: Spin Reorientation inTlFe1.6Se2with Complete Vacancy Ordering [Phys. Rev. Lett.109, 077003 (2012).]
journal, September 2012

Half-integer quantized anomalous thermal Hall effect in the Kitaev material candidate α-RuCl ₃
journal, July 2021

Neutron scattering in the proximate quantum spin liquid α-RuCl ₃
journal, June 2017

A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory
journal, September 2018

Ground-state and Thermodynamic Properties of an S = 1 Kitaev Model
journal, June 2018

Magnetic field induced spin liquids in S=1 Kitaev honeycomb model
journal, June 2020

Spin Transport in the Quantum Spin Liquid State in the S = 1 Kitaev Model: Role of the Fractionalized Quasiparticles
journal, March 2020

Characterizing spin-one Kitaev quantum spin liquids
journal, February 2021

Magnetic susceptibility study of KNiAsO4, HMnAsO4�H2O and their organic-intercalated derivatives
journal, May 1988

XY magnetism, Kitaev exchange, and long-range frustration in the $J_{eff} = \frac{1}{2}$ honeycomb cobaltates
journal, October 2021

Generic Spin Model for the Honeycomb Iridates beyond the Kitaev Limit
journal, February 2014

Quantum Spin Liquids from a Materials Perspective
journal, July 2021

Machine-learning-assisted insight into spin ice Dy2Ti2O7
journal, February 2020

Survival of itinerant excitations and quantum spin state transitions in YbMgGaO4 with chemical disorder
journal, August 2021

Bilbao Crystallographic Server: I. Databases and crystallographic computing programs
journal, January 2006

Spin Waves and Revised Crystal Structure of Honeycomb Iridate ${Na}_{2} {IrO}_{3}$
journal, March 2012

The Crystal Structure of Potassium Nickel Arsenate; KNiAsO₄
journal, August 1988

Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups
journal, March 2006

Microscopic Mechanism for a Higher-Spin Kitaev Model
journal, July 2019

Stripe antiferromagnetic ground state of the ideal triangular lattice compound ${KErSe}_{2}$
journal, April 2021

Chloride Reduction of Mn³⁺ in Mild Hydrothermal Synthesis of a Charge Ordered Defect Pyrochlore, CsMn²⁺Mn³⁺F₆, a Canted Antiferromagnet with a Hard Ferromagnetic Component
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A new protocol for the determination of magnetic structures using simulated annealing and representational analysis (SARAh)
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