Modulating optical performance by phase transition in a nonlinear optical material β-Li₂RbBi(PO₄)₂

Abstract

As a nonlinear optical (NLO) material, phosphates often suffer from weak second harmonic generation (SHG) response and low birefringence. Here, we report the successful synthesis of a new UV NLO...

β-CsHg2I5, a compound with rare [Hg2I5] dimers and large optical anisotropy

“…First-principles calculations based on density functional theory (DFT) for β-CsHg 2 I 5 were carried out using the CASTEP software package. [51][52][53][54] The exchange-correlation functional used was the Perdew-Burke-Ernzerhof (PBE) functional within the generalized gradient approximation (GGA). 55 The kinetic energy cutoff was set to 500 eV.…”

Novel antimony phosphates with enlarged birefringence induced by lone pair cations

“…Phosphates, an important branch of inorganic materials, have diverse structures and a wide range of applications as fluorescent substrate materials, battery materials, ion-exchange materials, linear and nonlinear opticacl materials, etc . 1–6 For phosphate-based optical materials with rigid [PO 4 ] tetrahedra as functional basic units (FBUs), they are resistant to absorption even in the deep UV region, usually have a wide transmission window, 7–9 and favor chemical and thermal stability. 10–12 In addition, [PO 4 ] tetrahedra can be further interconnected via sharing oxygen atoms to form different P–O polymers, such as P 2 O 7 , P 3 O 9 , (PO 3 ) ∞ , and so on.…”