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arXiv 2307.12554cond-mat.str-elcond-mat.mes-hall
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超薄量子自旋液体Na2IrO3薄片中的增强磁性与相变

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

Deepak K Roy, Mukul Kabir

AI总结:

本研究利用第一性原理计算探究超薄Na2IrO3层中量子电子限域效应,发现单层中zigzag反铁磁态增强且偏离Kitaev自旋液体态,载流子掺杂则引发Mott绝缘体-金属及反铁磁-铁磁双重转变。

摘要:

量子自旋液体的探索因其丰富的物理内涵及在量子通信与计算中的颠覆性前景而备受瞩目。自旋-轨道耦合、电子关联与结构畸变在最终于低温下形成反铁磁序的候选材料中扮演关键角色。我们引入量子电子限域效应至现有复杂性中,利用第一性原理计算探究超薄Na2IrO3层内Heisenberg与Kitaev相互作用间的相互影响。由于Heisenberg与非对角交换相互作用强度增加,单层中的zigzag反铁磁态得到强化,并进一步偏离Kitaev自旋液体态。相比之下,载流子掺杂薄片经历Mott绝缘体-金属转变,并伴随反铁磁向铁磁的转变。这些发现为理解新型非范德华关联氧化物薄片二维框架中的磁性提供了令人振奋的前景。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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