Electronic structure and magnetic properties of transition metal kagome metal–organic frameworks

Kang, Seungjin; Yu, Jaejun

doi:10.1039/d2cp02612k

Cited by 9 publications

(5 citation statements)

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“…191), which preserves C 2 z (and also P ) symmetry. The optimized lattice constant from our calculation (see Supporting Information for the calculation details) is a = 21.93 Å, consistent with previous works. , Our calculation also shows that bulk Co 3 (HITP) 2 has an extremely low exfoliation energy ∼0.07 J/m 2 , which agrees with the ease of exfoliation found in experiment …”

supporting

confidence: 91%

Magnetic Real Chern Insulator in 2D Metal–Organic Frameworks

Zhang

Liu

et al. 2023

Nano Lett.

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Real Chern insulators have attracted great interest, but so far, their material realization is limited to nonmagnetic crystals and systems without spin−orbit coupling. Here, we reveal the magnetic real Chern insulator (MRCI) state in a recently synthesized metal−organic framework material Co 3 (HITP) 2 . Its ground state with in-plane ferromagnetic ordering hosts a nontrivial real Chern number, enabled by the C 2z T symmetry and robustness against spin−orbit coupling. Distinct from previous nonmagnetic examples, the topological corner zero modes of MRCIs are spin-polarized. Furthermore, under small tensile strains, the material undergoes a topological phase transition from the MRCI to a magnetic double-Weyl semimetal phase, via a pseudospin-1 critical state. Similar physics can also be found in closely related materials Mn 3 (HITP) 2 and Fe 3 (HITP) 2 , which also exist. Possible experimental detections and implications of an emerging magnetic flat band in the system are discussed.

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confidence: 91%

Magnetic Real Chern Insulator in 2D Metal–Organic Frameworks

Zhang

Liu

et al. 2023

Nano Lett.

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“…In this family of materials, most of the focus so far has been on electronic properties from the point of view of electron-phonon coupling and Fermi surface nesting. 38,[63][64][65][66] There has been significantly less effort to uncover the vibrational contribution to the development of the density wave state. This is because metallic character in both high and low temperature phases of ScV 6 Sn 6 prevents us from revealing the behavior of the infrared-active phonons due to screening by the Drude peak.…”

Section: Resultsmentioning

confidence: 99%

Origin and stability of the charge density wave in ScV6Sn6

Musfeldt

2023

Preprint

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Kagom′e metals are widely recognized as versatile platforms for exploring novel topological properties, unconventional electronic correlations, magnetic frustration, and superconductivity. In the RV6Sn6 family of materials (R = Sc, Y, Lu), ScV6Sn6 hosts an unusual charge density wave ground state as well as structural similarities with the AV3Sb5 system (A = K, Cs, Rb). In this work, we combine Raman scattering spectroscopy with first-principles lattice dynamics calculations to reveal the charge density wave state in ScV6Sn6. In the low temperature phase, we find a five-fold splitting of the V-containing totally symmetric mode near 240 cm-1 suggesting that the density wave acts to mix modes of P6/mmm and R-3m symmetry - an effect that we quantify by projecting phonons of the high symmetry state onto those of the lower symmetry structure. We also test the stability of the density wave state under compression and find that both physical and chemical pressure act to quench the effect. We discuss these findings in terms of symmetry and the structure-property trends that can be unraveled in this system.

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“…Thus, they are widely studied. , On the other hand, dense MOFs feature much smaller cavities in comparison to porous MOFs; their cations are closer together and can thus play a significant role in the emergence of their functional properties. − The combination of organic–inorganic features can induce both magnetism and ferroelectricity simultaneously, i.e., multiferroicity. In some multiferroic materials, the ferroelectric and magnetic orders are coupled, giving rise to the possibility of controlling the magnetic property by the electric field and vice versa. − Thus, both the magnetic and electric orders, their coupling, and the role and control of the structural deformation are important aspects for dense MOFs. − …”

Section: Introductionmentioning

confidence: 99%

“… 6 − 8 Thus, both the magnetic and electric orders, their coupling, and the role and control of the structural deformation are important aspects for dense MOFs. 9 − 24 …”

Section: Introductionmentioning

confidence: 99%

Synthesis and Magnetic Properties of the Multiferroic [C(NH₂)₃]Cr(HCOO)₃ Metal–Organic Framework: The Role of Spin–Orbit Coupling and Jahn–Teller Distortions

Yananose,

Clark,

Saines

et al. 2023

Inorg. Chem.

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We report for the first time the synthesis of [C(NH 2 ) 3 ]Cr-(HCOO) 3 stabilizing Cr 2+ in formate perovskite, which adopts a polar structure and orders magnetically below 8 K. We discuss in detail the magnetic properties and their coupling to the crystal structure based on first-principles calculations, symmetry, and model Hamiltonian analysis. We establish a general model for the orbital magnetic moment of [C(NH 2 ) 3 ]M(HCOO) 3 (M = Cr, Cu) based on perturbation theory, revealing the key role of the Jahn−Teller distortions. We also analyze their spin and orbital textures in k-space, which show unique characteristics.

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Electronic structure and magnetic properties of transition metal kagome metal–organic frameworks

Abstract: Kagome metal-organic frameworks (MOFs) are considered a new class of materials that can host two-dimensional (2D) magnetism and correlated electron phenomena such as superconductivity and quantum anomalous Hall effect. Despite...

Cited by 9 publications

References 70 publications

Magnetic Real Chern Insulator in 2D Metal–Organic Frameworks

Magnetic Real Chern Insulator in 2D Metal–Organic Frameworks

Origin and stability of the charge density wave in ScV6Sn6

Synthesis and Magnetic Properties of the Multiferroic [C(NH₂)₃]Cr(HCOO)₃ Metal–Organic Framework: The Role of Spin–Orbit Coupling and Jahn–Teller Distortions

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Electronic structure and magnetic properties of transition metal kagome metal–organic frameworks

Abstract: Kagome metal-organic frameworks (MOFs) are considered a new class of materials that can host two-dimensional (2D) magnetism and correlated electron phenomena such as superconductivity and quantum anomalous Hall effect. Despite...

Cited by 9 publications

References 70 publications

Magnetic Real Chern Insulator in 2D Metal–Organic Frameworks

Magnetic Real Chern Insulator in 2D Metal–Organic Frameworks

Origin and stability of the charge density wave in ScV6Sn6

Synthesis and Magnetic Properties of the Multiferroic [C(NH2)3]Cr(HCOO)3 Metal–Organic Framework: The Role of Spin–Orbit Coupling and Jahn–Teller Distortions

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Synthesis and Magnetic Properties of the Multiferroic [C(NH₂)₃]Cr(HCOO)₃ Metal–Organic Framework: The Role of Spin–Orbit Coupling and Jahn–Teller Distortions