ABSTRACT
Ultrawide-bandgap semiconductors, possessing bandgaps distinctly larger than the 3.4 eV of GaN, have emerged as a promising class capable of achieving deep ultraviolet (UV) light detection. Based on first-principles calculations, we propose an unexplored two-dimensional (2D) InTeClO3 layered system with ultrawide bandgaps ranging from 4.34 eV of bulk to 4.54 eV of monolayer. Our calculations demonstrate that 2D InTeClO3 monolayer can be exfoliated from its bulk counterpart and maintain good thermal and dynamic stability at room temperature. The ultrawide bandgaps may be modulated by the small in-plane strains and layer thickness in a certain range. Furthermore, the 2D InTeClO3 monolayer shows promising electron transport behavior and strong optical absorption capacity in the deep UV range. A two-probe InTeClO3-based photodetection device has been constructed for evaluating the photocurrent. Remarkably, the effective photocurrent (5.7 A m-2 at photon energy of 4.2 eV) generation under polarized light has been observed in such a photodetector. Our results indicate that 2D InTeClO3 systems have strong photoresponse capacity in the deep UV region, accompanying the remarkable polarization sensitivity and high extinction ratio. These distinctive characteristics highlight the promising application prospects of InTeClO3 materials in the field of deep UV optoelectronics.
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.
