Nitrides: a promising class of nonlinear optical material candidates

Abstract

Nonlinear optical (NLO) materials play a crucial role in all-solid-state lasers, as their frequency conversion effects enable the expansion of the limited and fixed frequency outputs of lasers to encompass...

Wide-Band Gap Binary Semiconductor P3N5 with Highly Anisotropic Optical Linearity and Nonlinearity

“…The linear and NLO properties of GaN and Si 3 N 4 , which are benchmark materials in the nitride system, have been calculated with high accuracy. These calculations confirm the accuracy of theoretical studies in predicting novel materials. , For computational details, see the Supporting Information.…”

“…This effect is stronger than that of α-Si 3 N 4 (∼1.07 pm/V) and AlN (∼1.20 pm/V), although it is smaller than that of 4H-SiC (∼6.63 pm/V) and GaN (∼4.44 pm/V). However, its Δ n is much larger than 0.04, resulting in a dominant effective SHG effect for its phase matching . It is noteworthy that the Δ n of γ-P 3 N 5 is the largest compared to these structures, slightly larger than 0.11 of β-Ga 2 O 3 (owing to the distorted tetrahedra [GaO 4 ] and pyramid [GaO 3 ] with large structural anisotropy).…”

“…However, effective UV NLO frequency conversion requires more than just band gap and SHG effect. It also requires a sufficiently large birefringence (Δ n ) to achieve birefringent phase matching. , For example, despite AlN has remarkable E g and SHG effect, its limited Δ n presents a challenge in achieving efficient phase-matched SHG output . The insufficiency of Δ n is caused by insufficient optical anisotropy, which in turn results from inadequate structural anisotropy of the tetrahedral [AlN 4 ] primitive.…”

Nitride Wide-Bandgap Semiconductors for UV Nonlinear Optics

“…The information in this study is primarily obtained from first-principles calculations found in the existing literature. Notably, the calculated results on the linear and NLO properties for the benchmark materials GaN and Si 3 N 4 in the nitride system exhibit remarkable accuracy [26,30], supporting the reasonableness and dependability of the theoretical studies for use clarifying structure-property correlations and anticipating new materials. In this paper, to enhance the lucidity of the structure-property evolutions, we include additional data while maintaining computational parameters' consistency.…”

“…This mainly includes the CN-based NLO system [24], PN-based NLO system [25], and SiN-based NLO system [26], which has a larger bandgap E g than GaN (~3.4 eV), as well as other nitrides such as Zn 2 NCl [27] and NaSnN [28], the latter having a smaller bandgap E g than GaN. These NLO nitrides show a variety of anionic group structures and structure-property relationships [29][30][31][32][33][34]. Encouragingly, the output wavelengths of their phase-matching SHG can span the UV spectrum and even extend into the deep-UV bands.…”