Comprehensive Optoelectronic Study of Copper Nitride: Dielectric Function and Bandgap Energies

Abstract

Copper nitride (Cu3N) is gaining attention as an eco-friendly thin-film semiconductor in a myriad of applications, including storage devices, microelectronic components, photodetectors, and photovoltaic cells. This work presents a detailed optoelectronic study of Cu3N thin films grown by reactive RF-magnetron sputtering under pure N2. An overview of the state-of-the-art literature on this material and its potential applications is also provided. The studied films consist of Cu3N polycrystals with a cubic anti-ReO3 type structure exhibiting a preferential (100) orientation. Their optical properties across the UV-Vis-NIR spectral range were investigated using a combination of multi-angle spectroscopic ellipsometry, broadband transmission, and reflection measurements. Our model employs a stratified geometrical approach, primarily to capture the depth-dependent compositional variations of the Cu3N film while also accounting for surface roughness and the underlying glass substrate. The complex dielectric function of the film material is precisely determined through an advanced dispersion model that combines multiple oscillators. By integrating the Tauc–Lorentz, Gaussian, and Drude models, this approach captures the distinct electronic transitions of this polycrystal. This customized optical model allowed us to accurate extract both the indirect (1.83–1.85 eV) and direct (2.38–2.39 eV) bandgaps. Our multifaceted characterization provides one of the most extensive studies of Cu3N thin films to date, paving the way for optimized device applications and broader utilization of this promising binary semiconductor, and showing its particular potential for photovoltaic given its adequate bandgap energies for solar applications.