Magnetic couplings in edge-sharing high-spin d 7 compounds

IF 2.9 4区物理与天体物理 Q2 OPTICS

Journal of Nonlinear Optical Physics & Materials Pub Date : 2022-04-21 DOI:10.1088/2515-7639/ac94f8

S. Winter

引用次数: 22

Abstract

High-spin d 7 Co(II) compounds have recently been identified as possible platforms for realizing highly anisotropic and bond-dependent couplings featured in quantum-compass models such as the celebrated Kitaev model. In order to evaluate this potential, we consider all symmetry-allowed contributions to the magnetic exchange for ideal edge-sharing bonds. Though a combination of ab-initio and cluster many-body calculations we conclude that bond-dependent couplings are generally suppressed in favor of Heisenberg exchange for real materials. Consequences for several prominent materials including Na2Co2TeO6 and BaCo2(AsO4)2 are discussed.

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共边高自旋d7化合物中的磁耦合

高自旋d7co (II)化合物最近被确定为实现量子罗盘模型(如著名的Kitaev模型)中具有的高度各向异性和键依赖耦合的可能平台。为了评估这种潜力，我们考虑了理想边共享键的磁交换的所有对称性允许的贡献。通过ab-initio和聚类多体计算的结合，我们得出结论，键相关耦合通常被抑制，有利于真实材料的海森堡交换。讨论了几种主要材料的影响，包括Na2Co2TeO6和BaCo2(AsO4)2。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Nonlinear Optical Physics & Materials 物理-光学

CiteScore

3.00

自引率

48.10%

发文量

审稿时长

3 months

期刊介绍： This journal is devoted to the rapidly advancing research and development in the field of nonlinear interactions of light with matter. Topics of interest include, but are not limited to, nonlinear optical materials, metamaterials and plasmonics, nano-photonic structures, stimulated scatterings, harmonic generations, wave mixing, real time holography, guided waves and solitons, bistabilities, instabilities and nonlinear dynamics, and their applications in laser and coherent lightwave amplification, guiding, switching, modulation, communication and information processing. Original papers, comprehensive reviews and rapid communications reporting original theories and observations are sought for in these and related areas. This journal will also publish proceedings of important international meetings and workshops. It is intended for graduate students, scientists and researchers in academic, industrial and government research institutions.