Band gap modulation and nonlinear optical properties of quaternary tellurates Li2GeTeO6. Issue 23 (6th June 2022)

• Record Type: Journal Article
• Authors: Wang, Dan; Zhang, Yunxi; Liu, Qian; Zhang, Bingbing; Yang, Daqing; Wang, Ying
• Is Part Of: Dalton transactions. Volume 51:Issue 23(2022)
• Page Start: 8955
• Page End: 8959
• Publication Date: 2022-06-06
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d2dt01320g
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : A new NLO crystal Li2 GeTeO6 has been synthesized by a cation substitution strategy. It shows a large SHG intensity with a short cutoff edge, and possesses the largest band gap and highest LDT in the Li2 MTeO6 (M = tetravalent cation) family. Abstract : Tellurate crystals are attractive for developing new nonlinear optical (NLO) materials in the mid-infrared region due to their wide transmission window. In this work, we report a quaternary tellurate oxide crystal, Li2 GeTeO6, which exhibits a short cutoff edge (240 nm) with a powder second harmonic generation (SHG) response of 1.3 × KH2 PO4 (KDP). The reported material reveals the largest band gap in the Li2 MTeO6 (M = tetravalent cation) family. The first-principles calculations were used to illustrate the origin of the NLO effect. These results highlight the band gap engineering based on the cation substitution strategy for designing new NLO materials with balanced optical properties.