TY - JOUR
T1 - A Class of Magnetic Topological Material Candidates with Hypervalent Bi Chains
AU - Khoury, Jason F.
AU - Han, Bingzheng
AU - Jovanovic, Milena
AU - Singha, Ratnadwip
AU - Song, Xiaoyu
AU - Queiroz, Raquel
AU - Ong, Nai Phuan
AU - Schoop, Leslie M.
N1 - Funding Information:
This work was supported by the Arnold and Mabel Beckman Foundation through a Beckman Young Investigator grant and an AOB postdoctoral fellowship awarded to L.M.S. and J.F.K., respectively. We further acknowledge support by the Packard Foundation, the Sloan Foundation, and the Gordon and Betty Moore Foundation’s EPIQS initiative through Grant GBMF9064. N.P.O. and L.M.S. are supported by an MRSEC award from NSF Grant DMR 2011750. The authors acknowledge the use of Princeton’s Imaging and Analysis Center, which is partially supported by the Princeton Center for Complex Materials, a National Science Foundation (NSF)-MRSEC program (DMR-2011750). J.F.K. would like to thank Dr. Tyler J. Slade, Dr. Daniel G. Chica, and Dr. Rebecca L. Dally for helpful discussions.
Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/6/8
Y1 - 2022/6/8
N2 - The link between crystal and electronic structure is crucial for understanding structure-property relations in solid-state chemistry. In particular, it has been instrumental in understanding topological materials, where electrons behave differently than they would in conventional solids. Herein, we identify 1D Bi chains as a structural motif of interest for topological materials. We focus on Sm3ZrBi5, a new quasi-one-dimensional (1D) compound in the Ln3MPn5(Ln = lanthanide; M = metal; Pn = pnictide) family that crystallizes in the P63/mcm space group. Density functional theory calculations indicate a complex, topologically nontrivial electronic structure that changes significantly in the presence of spin-orbit coupling. Magnetic measurements show a quasi-1D antiferromagnetic structure with two magnetic transitions at 11.7 and 10.7 K that are invariant to applied field up to 9 T, indicating magnetically frustrated spins. Heat capacity, electrical, and thermoelectric measurements support this claim and suggest complex scattering behavior in Sm3ZrBi5. This work highlights 1D chains as an unexplored structural motif for identifying topological materials, as well as the potential for rich physical phenomena in the Ln3MPn5family.
AB - The link between crystal and electronic structure is crucial for understanding structure-property relations in solid-state chemistry. In particular, it has been instrumental in understanding topological materials, where electrons behave differently than they would in conventional solids. Herein, we identify 1D Bi chains as a structural motif of interest for topological materials. We focus on Sm3ZrBi5, a new quasi-one-dimensional (1D) compound in the Ln3MPn5(Ln = lanthanide; M = metal; Pn = pnictide) family that crystallizes in the P63/mcm space group. Density functional theory calculations indicate a complex, topologically nontrivial electronic structure that changes significantly in the presence of spin-orbit coupling. Magnetic measurements show a quasi-1D antiferromagnetic structure with two magnetic transitions at 11.7 and 10.7 K that are invariant to applied field up to 9 T, indicating magnetically frustrated spins. Heat capacity, electrical, and thermoelectric measurements support this claim and suggest complex scattering behavior in Sm3ZrBi5. This work highlights 1D chains as an unexplored structural motif for identifying topological materials, as well as the potential for rich physical phenomena in the Ln3MPn5family.
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U2 - 10.1021/jacs.2c02281
DO - 10.1021/jacs.2c02281
M3 - Article
C2 - 35613438
AN - SCOPUS:85131771636
SN - 0002-7863
VL - 144
SP - 9785
EP - 9796
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 22
ER -