Goodenough-Kanamori-Anderson Rules in CrI3/MoTe2/CrI3 Van der Waals Heterostructure

Wang, Meng‐Chien; Chang, Ching‐Ray

doi:10.1149/1945-7111/ac7006

Cited by 14 publications

(11 citation statements)

References 67 publications

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“…The relatively smaller magnitude of the FM coupling constant is consistent with other literature examples and as is generally predicted by the theory behind the GKA rules. [60][61][62] This proposal is supported by the fact that previously reported Cr2(SR)3 systems, which are all AFM, have Cr-S-Cr angles between 69 to 81° (Fig. S11).…”

Section: 𝑘 𝑇 2𝐽𝑆 𝑆supporting

confidence: 68%

“…This angle may be better contextualized versus the Cr trihalides, CrX3, which have Cr-X-Cr bond angles between 93 to 95° and all display FM behavior. 63,64,60 Similarly, angular deviation of ~8-10% has been estimated to limit the AFM/FM switch for 180° superexchange pathways in perovskites. 65,66 Finally, it is compelling to note that the magnetic properties of 1 vs. 2 are primarily altered via structural or steric manipulation and not by changes to the ligand field or electronic differences between BDT and BTT.…”

Section: 𝑘 𝑇 2𝐽𝑆 𝑆mentioning

confidence: 99%

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The Structure and Magnetic Properties of a New Family of 1D Chromium Thiolate Coordination Polymers

Ritchhart

Filatov

Jeon

et al. 2022

Preprint

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The synthesis, structure, and magnetic properties of two novel, pseudo-1D chromium thiolate coordination polymers (CPs), CrBTT and Cr2BDT3, are reported. The structures of these materials were determined using X-ray powder diffraction revealing highly symmetric 1D chains embedded within a CP framework. The magnetic coupling of this chain system was measured by SQUID magnetometry, revealing a switch from antiferromagnetic to ferromagnetic behavior dictated by the angular geometrical constraints within the CP scaffold consistent with the Goodenough-Kanamori-Anderson rules. Intrachain magnetic coupling constants JNN of −32 K and +5.7 K were found for CrBTT and Cr2BDT3 respectively using the 1D Bonner-Fisher model of magnetism. The band structure of these materials has also been examined by optical spectroscopy and Density Functional Theory (DFT) calculations revealing semiconducting behavior. Our findings here demonstrate how CP scaffolds can support idealized low-dimensional structural motifs and dictate magnetic interactions through tuning of geometry and inter-spin couplings.

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Section: 𝑘 𝑇 2𝐽𝑆 𝑆supporting

confidence: 68%

Section: 𝑘 𝑇 2𝐽𝑆 𝑆mentioning

confidence: 99%

The Structure and Magnetic Properties of a New Family of 1D Chromium Thiolate Coordination Polymers

Ritchhart

Filatov

Jeon

et al. 2022

Preprint

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“…By contrast, the Cr–S–Cr angle of compound 2 is 85°, significantly closer to 90° than previous examples. This angle may be better contextualized versus the Cr trihalides, CrX 3 , which have Cr–X–Cr bond angles between 93 and 95° and all display FM behavior. ,, Similarly, an angular deviation of ∼8–10% has been estimated to limit the AFM/FM switch for 180° superexchange pathways in perovskites. , Finally, it is compelling to note that the magnetic properties of 1 versus 2 are primarily altered via structural or steric manipulation and not by changes to the ligand field or electronic differences between BDT and BTT. We hypothesize that this dramatic change in magnetic behavior, which can be thought of as arising from a compression along the chain axis, could result in novel piezomagnetic or magnetostrictive properties under high pressure similar to what has been observed in layered CrCl 3 and CrI 3 . ,, …”

Section: Results and Discussionmentioning

confidence: 99%

“…This angle may be better contextualized versus the Cr trihalides, CrX 3 , which have Cr−X−Cr bond angles between 93 and 95°and all display FM behavior. 60,63,64 Similarly, an angular deviation of ∼8−10% has been estimated to limit the AFM/FM switch for 180°superexchange pathways in perovskites. 65,66 Finally, it is compelling to note that the magnetic properties of 1 versus 2 are primarily altered via structural or steric manipulation and not by changes to the ligand field or electronic differences between BDT and BTT.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Structure and Magnetic Properties of Pseudo-1D Chromium Thiolate Coordination Polymers

et al. 2023

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The synthesis, structure, and magnetic properties of two novel, pseudo-one-dimensional (1D) chromium thiolate coordination polymers (CPs), CrBTT and Cr 2 BDT 3 , are reported. The structures of these materials were determined using X-ray powder diffraction revealing highly symmetric 1D chains embedded within a CP framework. The magnetic coupling of this chain system was measured by SQUID magnetometry, revealing a switch from antiferromagnetic to ferromagnetic behavior dictated by the angular geometrical constraints within the CP scaffold consistent with the Goodenough−Kanamori− Anderson rules. Intrachain magnetic coupling constants J NN of −32.0 and +5.7 K were found for CrBTT and Cr 2 BDT 3 , respectively, using the 1D Bonner−Fisher model of magnetism. The band structure of these materials has also been examined by optical spectroscopy and density functional theory calculations revealing semiconducting behavior. Our findings here demonstrate how CP scaffolds can support idealized low-dimensional structural motifs and dictate magnetic interactions through tuning of geometry and inter-spin couplings.

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“…The bond angle of Co-S-Co, however, is 114.7°, which is different from the ideal 90°. The superexchange integral J can be expressed as J ≈ 2 k – 4β S, where k is the exchange potential, and it is positive due to the Hund’s rule; β is the hopping integral, and S is the overlap integral, which is determined by the degree of orbital overlap and can also be considered as the bond angle. When two orbitals are orthogonal (bond angle is ∼90°), S is near zero, so J is increased to 2 k .…”

Section: Models and Methodsmentioning

confidence: 99%

Nature of Spin-Glass Behavior of Cobalt-Doped Iron Disulfide Nanospheres Using the Monte Carlo Method

Chen

et al. 2023

J. Phys. Chem. C

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A systematic investigation of the spin-glass behavior of cobalt-doped iron disulfide is performed in this paper. Co0.5Fe0.5S2 has been synthesized and characterized, and its magnetic properties have been measured compared to those of Co0.2Fe0.8S2. There are some unusual phenomena in the magnetic properties that have sparked our interest in further exploration, e.g., the spin frustration of Co0.5Fe0.5S2 is intense at low temperatures and irreversibility of ZFC/FC at high temperatures. Density functional theory is used to determine the exchange integral of superexchange pathways of Co-S-S-Co (nearest neighbor in the same site) and Co-S-Co-S-Co (next nearest neighbor in the same site) superexchange interaction. The superexchange interaction between Co-S-Co is so weak that it can be ignored to simplify the model. Self-consistent iterative and Monte Carlo methods are used to prove that the origin of spin-glass behavior is the superexchange interaction competition between Co-S-S-Co and Co-S-Co-S-Co pathways. In addition, the irreversibility of ZFC/FC at high temperatures is attributed to the magnetostatic interaction in the CoS shell. Meanwhile, the disorder of the Fe site may increase the degree of spin frustration in the system. Lastly, we established that fluctuations in the interexchange interactions are one cause of CoS2 spin frustration. Slowing the rate of zero-field cooling could reduce the likelihood of frustration as a result of fluctuations in exchange interactions. This work provides an in-depth analysis of the magnetic mechanism of cobalt-doped iron disulfide nanospheres and serves as a theoretical guide for spintronics studies, helping researchers to gain a deeper understanding of the frustration system.

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Goodenough-Kanamori-Anderson Rules in CrI₃/MoTe₂/CrI₃ Van der Waals Heterostructure

Cited by 14 publications

References 67 publications

The Structure and Magnetic Properties of a New Family of 1D Chromium Thiolate Coordination Polymers

The Structure and Magnetic Properties of a New Family of 1D Chromium Thiolate Coordination Polymers

Structure and Magnetic Properties of Pseudo-1D Chromium Thiolate Coordination Polymers

Nature of Spin-Glass Behavior of Cobalt-Doped Iron Disulfide Nanospheres Using the Monte Carlo Method

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