| Title | Synthesis, Structure, and Properties of the Non-Centrosymmeteric Compound LiNaRbB5O8(OH)(2) |
| Authors | Yang, Yi Qiu, Yi Gong, Pifu Huang, Qian Zhao, Sangen Luo, Siyang Sun, Junliang Lin, Zheshuai |
| Affiliation | Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Beijing Ctr Crystal R&D, Beijing 100190, Peoples R China. Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China. Chinese Acad Sci, Inst Engn Thermophys, Beijing 100190, Peoples R China. Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China. Univ Chinese Acad Sci, Beijing 100049, Peoples R China. Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Beijing Ctr Crystal R&D, Beijing 100190, Peoples R China. Sun, JL (reprint author), Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China. Lin, ZS (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China. |
| Keywords | NONLINEAR-OPTICAL MATERIAL 2ND-HARMONIC GENERATION RESPONSE SPECTROSCOPIC PROPERTIES ULTRAVIOLET BORATE CRYSTALS UNITS KB5O8.4H2O CLUSTERS DESIGN |
| Issue Date | 2018 |
| Publisher | CRYSTAL GROWTH & DESIGN |
| Citation | CRYSTAL GROWTH & DESIGN. 2018, 18(10), 5745-5749. |
| Abstract | A new non-centrosymmetric hydroxyl alkali metal borate LiNaRbB5O8(OH)(2) has been grown under mild hydrothermal conditions at 220 degrees C. LiNaRbB5O8(OH)(2) belongs to the orthorhombic space group Aba2, with a = 11.3017(5) angstrom, b = 10.9956(5) angstrom, c = 9.2860(4) angstrom, and Z = 2. The crystal structure of LiNaRbB5O8(OH)(2) consists of Li/Na-O, Rb-O polyhedra, and [B5O8(OH)(2)](3-) groups. The transmittance spectrum of the LiNaRbB5O8(OH)(2) exhibits an absorption edge less than 200 nm in the UV region. The powder second-harmonic generation coefficient in LiNaRbB5O8(OH)(2) is about one-third that of KH2PO4 (KDP) based the Kurtz-Perry method. First principle calculations based on band structure, density of states, and optical properties are used to better understand the relationship between electronic structure and optical properties. |
| URI | http://hdl.handle.net/20.500.11897/568366 |
| ISSN | 1528-7483 |
| DOI | 10.1021/acs.cgd.8b01073 |
| Indexed | SCI(E) |
| Appears in Collections: | å å¦ä¸ å å å·¥ç¨ å¦é ¢ |
