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Updated: Jul 13, 2025
Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
Published on: April 14, 2020
Strong spin-orbital coupling induced tunable electronic structures and enhanced visible-light absorption in
Wenjiang Gao1, Meiyang Yu1, Bing Wang1
1Institute for Computational Materials Science, Joint Center for Theoretical Physics, and International Joint Research Laboratory of New Energy Materials and Devices of Henan Province, School of Physics and Electronics, Henan University, Kaifeng 475004, China. wb@henu.edu.cn.
Abstract:
Considering the demand for device miniaturization, low-dimensional materials have been widely employed in various fields due to their unique and fascinating physical and chemical properties. Here, based on first-principles calculations, we predict a novel one-dimensional (1D) RhTe6I3 chain system. Our calculations indicate that a 1D RhTe6I3 single chain can be prepared from its bulk counterpart by an exfoliation method and exists stably at room temperature. The 1D RhTe6I3 single chain is a direct semiconductor with a moderate bandgap of 1.75 eV under a strong spin-orbital coupling (SOC) effect dominated by Te. This bandgap can be modulated by the chain number and the application of external strain. Notably, the 1D RhTe6I3 single chain has a high electron mobility (1093 cm2 V-1 s-1), which is one to two orders of magnitude higher than those of most previously reported 1D materials. The strong SOC effect can also enhance the visible-light absorption capacity of the 1D RhTe6I3 single chain. The moderate direct bandgap, high electron mobility, excellent visible-light absorption, and strong spin-orbital coupling make 1D RhTe6I3 systems ideal candidates in electronic and optoelectronic devices.
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