论文标题

一类磁性拓扑材料候选物具有过度价值链

A Class of Magnetic Topological Material Candidates with Hypervalent Bi Chains

论文作者

Khoury, Jason F., Han, Bingzheng, Jovanovic, Milena, Singha, Ratnadwip, Song, Xiaoyu, Queiroz, Raquel, Ong, N. Phuan, Schoop, Leslie M.

论文摘要

晶体结构与电子结构之间的联系对于理解固态化学中的结构特性关系至关重要。特别是,它在理解拓扑材料方面具有重要作用,在该拓扑材料中,电子的行为与常规固体不同。本文中,我们将1D BI链确定为拓扑材料感兴趣的结构主题。我们专注于SM $ _3 $ Zrbi $ _5 $,这是一种新的准二维(1D)化合物,该化合物在LN $ _3 $ _3 $ MPN $ _5 $(ln = lanthanide; m = Metal; M = Metal; Pn = Pnictide)家族中,在P $ 6_ {3} $/MC MCM Space组中结晶。密度功能理论计算表明,在旋转轨道耦合的存在下,在拓扑上的复杂,拓扑的电子结构发生了显着变化。磁性测量结果显示出一个准1D抗铁磁结构,在11.7和10.7 K处进行了两个磁过渡,对于施加到9 t的场是不变的,表明磁性挫败了。热容量,电气和热传输测量支持此主张,并暗示SM $ _3 $ ZRBI $ _5 $中的复杂散射行为。这项工作将1D链重点介绍为识别拓扑材料的未开发结构图案,以及在LN $ _3 $ MPN $ _5 $ family中产生丰富的物理现象的潜力。

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 Sm$_3$ZrBi$_5$, a new quasi-one-dimensional (1D) compound in the Ln$_3$MPn$_5$ (Ln = lanthanide; M = metal; Pn = pnictide) family that crystallizes in the P$6_{3}$/mcm space group. Density functional theory calculations indicate a complex, topologically non-trivial 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 thermal transport measurements support this claim and suggest complex scattering behavior in Sm$_3$ZrBi$_5$. 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 Ln$_3$MPn$_5$ family.

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