Wide band gap selenide infrared nonlinear optical materials A^IIMg₆Ga₆Se₁₆ with strong SHG responses and high laser-induced damage thresholds

Abstract

Infrared (IR) nonlinear optical (NLO) materials with strong NLO response, wide band gap and high laser-induced damage threshold (LIDT) are highly expected in current laser technologies. Herein, by introducing double...

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

“…To understand the origin of optical properties, the band structure of β -CsHg 2 I 5 was first computed using DFT calculations. 68–70 The optimized structure model and unit-cell parameters of β -CsHg 2 I 5 are shown in Fig. S6,† and the bulk moduli (Table S13†) from the atomic model were calculated to be 9.89422 (Voigt), 7.99758 (Reuss), and 8.94950 (Hill).…”