title: Strong Infrared NLO Tellurides with Multifunction: CsX(II)4In5Te12 (X(II) = Mn, Zn, Cd).
abstract: Chalcogenides are the most promising mid- and far-infrared materials for nonlinear optical (NLO) applications. Yet, most of them are sulfides and selenides, and tellurides are still rare. Herein, we report three new KCd4Ga5S12-structure type NLO-active tellurides, CsX(II)4In5Te12 (X(II) = Mn, Zn, Cd), synthesized by solid-state reactions. The structure features a 3D diamond-like framework constructed by vertex-sharing asymmetric MTe4 tetrahedra that are stacked along the c-axis. CsCd4In5Te12 exhibits the strongest powder second-harmonic generation (SHG) intensity at 2050 nm (0.61 eV) among tellurides to date, 9 × benchmark AgGaS2 in the range of 46-74 μm particle size. The primary studies reveal the 1.42 eV direct band gap and high absorption coefficient in the visible spectral region for CsCd4In5Te12, suggesting it is a new potential solar cell absorber material. In addition, CsMn4In5Te12 also displays a spin-canted antiferromagnetic property below 50 K.
authors.affiliation: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou, Fujian 350002, People's Republic of China.
authors.forename: Hua
authors.initials: H
authors.lastname: Lin
authors.affiliation: State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University , Hangzhou 310027, People's Republic of China.
authors.forename: Yi
authors.initials: Y
authors.lastname: Liu
authors.affiliation: Bremen Center for Computational Materials Science, University of Bremen , Am Falturm 1, 28359 Bremen, Germany.
authors.forename: Liu-Jiang
authors.initials: LJ
authors.lastname: Zhou
authors.affiliation: School of Chemistry and Chemical Engineering, Zunyi Normal College , Zunyi, Guizhou 563002, People's Republic of China.
authors.forename: Hua-Jun
authors.initials: HJ
authors.lastname: Zhao
authors.affiliation: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou, Fujian 350002, People's Republic of China.
authors.forename: Ling
authors.initials: L
authors.lastname: Chen