Computational design of 
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-electron Kitaev magnets: Honeycomb and hyperhoneycomb compounds 
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Jang, Seonghoon; Sano, Ryoya; Kato, Yasuyuki; Motome, Yukitoshi

doi:10.1103/physrevmaterials.4.104420

Cited by 28 publications

(8 citation statements)

References 113 publications

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“…Naka et al 236–239 proposed spin polarization in κ‐(ET) 2 X salts and spin current is a possible tool to clarify the existence of QSL states. As inorganic QSLs have triangular, Kagome, honeycomb lattices, 240 studying Kitaev interactions of materials based on honeycomb lattices may provide new opportunities for discovering new types of organic QSLs, since inorganic Kitaev QSL H 3 LiIr 2 O 6 was successfully developed 241 …”

Section: Quantum Spin Liquidsmentioning

confidence: 99%

Organic quantum materials: A review

Wang

Zhang

2023

SmartMat

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Interests in organic quantum materials (OQMs) have been explosively growing in the field of condensed physics of matter due to their rich chemistry and unique quantum properties. They are strongly correlated systems and show novel electromagnetic performance such as high‐temperature superconducting, quantum sensing, spin electronics, quantum dots, topological insulating, quantum Hall effects, spin liquids, qubits, and so forth, which exhibit promising prospects in information communication and thus facilitate the construction of a modern intelligent society. This article reviews recent developments in the research on the electromagnetic characteristics of OQMs. We mainly give an overview on the progress of superconductors and quantum spin liquids based on organic materials and describe their possible mechanisms. Numerous experimental findings exhibit new exciton interactions and provide insights into exotic electronic properties. Finally, their association and strategies for realizing multiple quantum states in one system are discussed.

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Section: Quantum Spin Liquidsmentioning

confidence: 99%

Organic quantum materials: A review

Wang

Zhang

2023

SmartMat

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“…Note that van der Waals heterostructures of atomically thin α-RuCl 3 and graphene have been fabricated [36][37][38][39], which would be extended to the current situation. Besides, a superstructure of an ilmenite MnTiO 3 including IrO 6 honeycomb layers [40,41] could be such a platform, where the antiferromagnetic moment in MnTiO 3 can be regarded as a staggered internal magnetic field acting on the possible Kitaev spin liquid in the IrO 6 honeycomb layers [42][43][44]. In such situations, however, the magnon excitations in the antiferromagnet can contribute to the thermal transport.…”

Section: Contributions From Magnonsmentioning

confidence: 99%

Asymmetric modulation of Majorana excitation spectra and nonreciprocal thermal transport in the Kitaev spin liquid under a staggered magnetic field

Nakazawa,

Kato,

Motome

2022

Preprint

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We present the theoretical results for the Majorana band structure and thermal transport properties in the Kitaev honeycomb model under a staggered magnetic field in addition to a uniform one. The Majorana band structure is asymmetrically modulated in momentum space, and the valley degree of freedom is activated and controlled by the magnitudes and directions of the uniform and staggered magnetic fields; as a result, the Majorana excitation is either gapped or gapless, the latter of which in general has Majorana Fermi surfaces, in contrast to the point nodes in the absence of the fields. We show that the asymmetric deformation of the Majorana band induces a nonlinear (nonreciprocal) thermal transport, in addition to the linear one. The field dependence of the linear thermal current is correlated with the magnitude of the Majorana gap, while that of the nonlinear thermal current is associated with the asymmetry of the Majorana excitation spectra. We show the estimates of the thermal currents and discuss that the linear response is experimentally measurable, whereas future improvement is required for the observation of the nonlinear one. We also discuss how the thermal currents are modulated by other additional effects of the magnetic field and contributions from conventional magnons, latter of which are expected in heterostructures to realize an internal staggered magnetic field.

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“…We compute how the ligand displacement modulates the exchange interactions between the Ru cations by calculating the electronic structure of the modulated α-RuCl 3 by the ab initio calculations, constructing the multiorbital Hubbard model with the maximally-localized Wannier functions [51,52], and performing the perturbation expansion in the limit of strong correlation. Similar procedure has been adopted for other Kitaev candidates without bond modulations [53][54][55][56].…”

Section: B Case Study Of α-Rucl3: Ligand Displacementmentioning

confidence: 99%

Vortex creation and control in the Kitaev spin liquid by local bond modulations

Jang,

Kato,

Motome

2021

Preprint

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The Kitaev model realizes a quantum spin liquid where the spin excitations are fractionalized into itinerant Majorana fermions and localized Z2 vortices. Quantum entanglement between the fractional excitations can be utilized for decoherence-free topological quantum computation. Of particular interest is the anyonic statistics realized by braiding the vortex excitations under a magnetic field. Despite the promising potential, the practical methodology for creation and control of the vortex excitations remains elusive thus far. Here we theoretically propose how one can create and move the vortices in the Kitaev spin liquid. We find that the vortices are induced by a local modulation of the exchange interaction; especially, the local Dzyaloshinskii-Moriya (symmetric offdiagonal) interaction can create vortices most efficiently in the (anti)ferromagnetic Kitaev model, as it effectively flips the sign of the Kitaev interaction. We test this idea by performing the ab initio calculation for a candidate material α-RuCl3 through the manipulation of the ligand positions that breaks the inversion symmetry and induces the local Dzyaloshinskii-Moriya interaction. We also demonstrate a braiding of vortices by adiabatically and successively changing the local bond modulations.

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Computational design of f -electron Kitaev magnets: Honeycomb and hyperhoneycomb compounds A2PrO3 ( A=

Cited by 28 publications

References 113 publications

Organic quantum materials: A review

Organic quantum materials: A review

Asymmetric modulation of Majorana excitation spectra and nonreciprocal thermal transport in the Kitaev spin liquid under a staggered magnetic field

Vortex creation and control in the Kitaev spin liquid by local bond modulations

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