Hyde Penny A, Avdeev Maxim, Rees Nicholas H, Clarke Simon J
Department of Chemistry, University of Oxford, Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR, U.K.
Australian Centre for Neutron Scattering, Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234, Australia.
Chem Mater. 2024 Sep 20;36(19):9939-9946. doi: 10.1021/acs.chemmater.4c02155. eCollection 2024 Oct 8.
Two new reduced phases derived from the topical excitonic insulator candidate TaNiSe have been synthesized via the intercalation of lithium and potassium from solutions of the metals in liquid ammonia. Li(NH)TaNiSe and KTaNiSe both crystallize in orthorhombic space group with the following lattice parameters: = 3.5175(1) Å, = 18.7828(7) Å, and = 15.7520(3) Å and = 3.50247(3) Å, = 13.4053(4) Å, and = 15.7396(2) Å, respectively. They have increased unit cell volumes of 48% and 31%, respectively, relative to that of TaNiSe. Significant rearrangement of the transition metal selenide layers is observed in both intercalates compared to the parent phase. In Li(NH)TaNiSe, neutron diffraction experiments confirm the location of the light Li, N, and H atoms, and solid-state nuclear magnetic resonance (NMR) experiments show that H, N, and Li each occupy a single environment at ambient temperature on the NMR time scale. Magnetometry data show that both intercalates have increased magnetic susceptibilities relative to that of TaNiSe, consistent with the injection of electrons during intercalation and an enhancement of the Pauli paramagnetism.
通过将锂和钾从金属在液氨中的溶液进行插层，合成了两种源自潜在的拓扑激子绝缘体TaNiSe的新的还原相。Li(NH)TaNiSe和KTaNiSe均结晶于正交空间群，其晶格参数如下：(a = 3.5175(1) Å)，(b = 18.7828(7) Å)，(c = 15.7520(3) Å) 以及 (a = 3.50247(3) Å)，(b = 13.4053(4) Å)，(c = 15.7396(2) Å)。相对于TaNiSe，它们的晶胞体积分别增加了48%和31%。与母相相比，在两种插层化合物中均观察到过渡金属硒化物层的显著重排。在Li(NH)TaNiSe中，中子衍射实验确定了轻元素Li、N和H原子的位置，固态核磁共振（NMR）实验表明，在室温下，在NMR时间尺度上，H、N和Li各自占据单一环境。磁学数据表明，相对于TaNiSe，两种插层化合物的磁化率均有所增加，这与插层过程中电子的注入以及泡利顺磁性的增强相一致。
