When van der Waals Met Kagome: A 2D Antimonide with a Vanadium-Kagome Network

Mantravadi, Aishwarya; Weaver, Bradyn C.; Chen, Shiya; Mukta, Shahnaz; Abusa, Yao; Sarkar, Arka; Sun, Yang; Mudryk, Yaroslav; Gundlach-Graham, Alexander; Ho, Kai-Ming; Lebedev, Oleg I.; Zaikina, Julia V.

doi:10.1021/jacs.4c07285

Title: When van der Waals Met Kagome: A 2D Antimonide with a Vanadium-Kagome Network

Journal Article · 21 September 2024 · Journal of the American Chemical Society

DOI: https://doi.org/10.1021/jacs.4c07285 · OSTI ID:2448482

Mantravadi, Aishwarya ^[1]; Weaver, Bradyn C. ^[1]; Chen, Shiya ^[2]; Mukta, Shahnaz ^[1];

^[1];

^[3]; Sun, Yang ^[2];

^[4];

^[1]; Ho, Kai-Ming ^[1]; Lebedev, Oleg I. ^[5];

^[1]

Iowa State Univ., Ames, IA (United States)
Xiamen University (China)
Iowa State Univ., Ames, IA (United States); Ames Laboratory (AMES), Ames, IA (United States)
Ames Laboratory (AMES), Ames, IA (United States)
Centre National de la Recherche Scientifique (CNRS), Caen (France)

2D materials showcase unconventional properties emerging from quantum confinement effects. In this work, a “soft chemical” route allows for the deintercalation of K⁺ from the layered antimonide KV₆Sb₆, resulting in the discovery of a new metastable 2D-Kagome antimonide K_0.1(1)V₆Sb₆ with a van der Waals gap of 3.2 Å. The structure of K_0.1(1)V₆Sb₆ was determined via the synergistic techniques, including X-ray pair distribution function analysis, advanced transmission electron microscopy, and density functional theory calculations. The K_0.1(1)V₆Sb₆ compound crystallizes in the monoclinic space group C2/m (a = 9.57(2) Å, b = 5.502(8) Å, c = 10.23(2) Å, β = 97.6(2)°, Z = 2). The [V₆Sb₆] layers in K_0.1(1)V₆Sb₆ are retained upon deintercalation and closely resemble the layers in the parent compound, yet deintercalation results in a relative shift of the adjacent [V₆Sb₆] layers. The magnetic properties of the K_0.1(1)V₆Sb₆ phase in the 2–300 K range are comparable to those of KV₆Sb₆ and another Kagome antimonide KV₃Sb₅, consistent with nearly temperature-independent paramagnetism. Electronic band structure calculation suggests a nontrivial band topology with flat bands and opening of band crossing afforded by deintercalation. Transport property measurements reveal a metallic nature for K_0.1(1)V₆Sb₆ and a low thermal conductivity of 0.6 W K^–1 m^–1 at 300 K. Additionally, ion exchange in KV₆Sb₆ via a solvothermal route leads to a successful partial exchange of K⁺ with A⁺ (A = Na, Rb, and Cs). Here, this study highlights the tunability of the layered structure of the KV₆Sb₆ compound, providing a rich playground for the realization of new 2D materials.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); National Science Foundation (NSF); Natural Science Foundation of Xiamen; National Natural Science Foundation of China (NSFC)

Grant/Contract Number:: AC02-06CH11357; AC02-07CH11358

OSTI ID:: 2448482

Report Number(s):: IS-J--11,431

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 39 Vol. 146; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: When van der Waals Met Kagome: A 2D Antimonide with a Vanadium-Kagome Network

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