Bias-Dependent Highly Anisotropic Photoresponse of a Non-d<sup>0</sup> Ferroelectric NbOCl<sub>2</sub> Monolayer.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 41396548.
- Also identified by DOI 10.1021/acs.nanolett.5c04667.
- No licence information is recorded for this record.
- Because redistribution is not established, this page shows the abstract only. Follow the links below for the full text.
Abstract
NbOCl<sub>2</sub> is an emerging 2D ferroelectric with unique potential in designing multifunctional optoelectronics. Here, we carried out a density functional theory study combined with non-equilibrium Green's function formalism for the NbOCl<sub>2</sub> monolayer, aiming to understand its non-d<sup>0</sup> in-plane ferroelectricity and the bias-dependent highly anisotropic photoresponse. Dual-mode pseudo-Jahn-Teller distortions, comprising a Peierls-like mode and a ferroelectric mode, induce large band gap opening and predominantly ionic spontaneous polarization, respectively. Under the external bias, the polar direction (Nb-O-Nb) photoresponse is universally enhanced and exhibits a notable offset. In contrast, the nonpolar direction (Nb-Cl-Nb) demonstrates a distinct field-dependent behavior: an initial enhancement at low fields followed by suppression at higher fields, attributable to electrode state misalignment. Our work demonstrates NbOCl<sub>2</sub> as a foundational system for the design of next-generation optoelectronic devices that harness large in-plane electric polarization in layered ferroelectric semiconductors.