Enhanced Magnetism and Phase Transitions in Ultrathin Quantum Spin Liquid Na2IrO3 Flakes

Abstract

The quest for quantum spin liquids has garnered significant attention due to their rich physics and disruptive prospects in quantum communication and computation. Spin-orbit coupling, electron correlation, and structural distortion play critical roles in the candidate materials that eventually order antiferromagnetically at low temperatures. We introduce quantum electron confinement to the existing complexity and explore the interplay between Heisenberg and Kitaev interactions in ultrathin \ce{Na2IrO3} layers using first-principles calculations. The zigzag antiferromagnetic state in the monolayer is reinforced and pushed further away from the Kitaev spin liquid state due to the increased strength of Heisenberg and off-diagonal exchange interactions. In contrast, the carrier-doped flakes undergo a Mott insulator-to-metal transition accompanied by an antiferromagnetic to ferromagnetic transition. These findings present exciting prospects for comprehending magnetism in a novel two-dimensional framework of non-van der Waals correlated oxide flakes.

arXiv comment8 pages, 5 figures

References in corpus (33)

• Anyons in an exactly solved model and beyond
• Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
• Magnetic 2D materials and heterostructures
• Kitaev-Heisenberg Model on Honeycomb Lattice: Possible Exotic Phases in Iridium Oxides $A_2$IrO${}_3$
• Kitaev quantum spin liquid - concept and materialization
• Relevance of the Heisenberg-Kitaev model for the honeycomb lattice iridates A_2IrO_3
• Generic spin model for the honeycomb iridates beyond the Kitaev limit
• Models and Materials for Generalized Kitaev Magnetism
• Spin waves and revised crystal structure of honeycomb iridate Na2IrO3
• Linear spin wave theory for single-Q incommensurate magnetic structures
• A Field Guide to Spin Liquids
• On the Origin of Zigzag Magnetic Order in Iridium Oxide Na2IrO3
• Challenges in Design of Kitaev Materials: Magnetic Interactions from Competing Energy Scales
• The monoclinic crystal structure of $\alpha$-RuCl${}_3$ and the zigzag antiferromagnetic ground state
• The hiphive package for the extraction of high-order force constants by machine learning
• Predicting the Spin-Lattice Order of Frustrated Systems from First-Principles
• Orbital order and fluctuations in Mott insulators
• Low-temperature crystal and magnetic structure of $\alpha$-RuCl3
• Direct evidence of a zigzag spin chain structure in the honeycomb lattice: A neutron and x-ray diffraction investigation on single crystal $\mathrm{N}{\mathrm{a}}_2\mathrm{Ir}{\mathrm{O}}_3$
• Long range magnetic ordering in Na${}_2$IrO${}_3$
• Crystal field splitting and correlation effect on the electronic structure of A2IrO3
• Kitaev interactions between j=1/2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations
• Na2IrO3 as a spin-orbit-assisted antiferromagnetic insulator with a 340 meV gap
• Lattice-Driven Magnetoresistivity and Metal-Insulator Transition in Single-Layered Iridates
• Magnetization processes of zigzag states on the honeycomb lattice: Identifying spin models for $\alpha$-RuCl${}_3$ and Na${}_2$IrO${}_3$
• Data-driven quest for two-dimensional non-van der Waals materials
• Field-induced intertwined orders in 3D Mott-Kitaev honeycomb $\beta$-Li2IrO3
• Magnetic anisotropy reversal driven by structural symmetry-breaking in monolayer α-RuCl3
• Computational Study of the Magnetic Structure of Na${}_2$IrO${}_3$
• Investigation of unconventional reconstruction and electronic properties on the Na2IrO3 surface
• First-principles Study on the Magnetic Interactions in Honeycomb Na2IrO3
• Quasiparticles and charge transfer at the two surfaces of the honeycomb iridate Na${}_2$IrO${}_3$
• Dynamic Surface Modification due to Effusion of Na in Na${}_2$IrO${}_3$

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