Lawrence Erick A, Huai Xudong, Kim Dongwook, Avdeev Maxim, Chen Yu, Skorupskii Grigorii, Miura Akira, Ferrenti Austin, Waibel Moritz, Kawaguchi Shogo, Ng Nicholas, Kaman Bobby, Cai Zijian, Schoop Leslie, Kushwaha Satya, Liu Feng, Tran Thao T, Ji Huiwen
Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, United States.
Department of Chemistry, Clemson University, Clemson, South Carolina 29634, United States.
Inorg Chem. 2023 Nov 6;62(44):18179-18188. doi: 10.1021/acs.inorgchem.3c02652. Epub 2023 Oct 20.
Transition-metal dichalcogenides (TMDs) have long been attractive to researchers for their diverse properties and high degree of tunability. Most recently, interest in magnetically intercalated TMDs has resurged due to their potential applications in spintronic devices. While certain compositions featuring the absence of inversion symmetry such as FeNbS and CrNbS have garnered the most attention, the diverse compositional space afforded through the host matrix composition as well as intercalant identity and concentration is large and remains relatively underexplored. Here, we report the magnetic ground state of FeNbS that was determined from low-temperature neutron powder diffraction as an A-type antiferromagnet. Despite the presence of overall inversion symmetry, the pristine compound manifests spin polarization induced by the antiferromagnetic order at generic points, based on density functional theory band-structure calculations. Furthermore, by combining synchrotron diffraction, pair distribution function, and magnetic susceptibility measurements, we find that the magnetic properties of FeNbS are sensitive to the Fe site order, which can be tuned via electrochemical lithiation and thermal history.
长期以来，过渡金属二硫属化物（TMDs）因其多样的性质和高度的可调节性而吸引着研究人员。最近，由于其在自旋电子器件中的潜在应用，对磁性插层TMDs的兴趣再度兴起。虽然某些具有非中心对称的成分，如FeNbS和CrNbS，受到了最多的关注，但通过主体基质成分以及插层剂的种类和浓度所提供的多样成分空间很大，仍相对未被充分探索。在这里，我们报道了通过低温中子粉末衍射确定为A型反铁磁体的FeNbS的磁基态。尽管存在整体中心对称，但基于密度泛函理论能带结构计算，原始化合物在一般点上表现出由反铁磁序诱导的自旋极化。此外，通过结合同步辐射衍射、对分布函数和磁化率测量，我们发现FeNbS的磁性对Fe位点有序敏感，这可以通过电化学锂化和热历史进行调节。
