Quaternary non-centrosymmetric sulfide Y₄GaSbS₉: Syntheses, structures, optical properties and theoretical studies

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• 作者：Yue Wang^a ; Xiaochuan Zou^a ; Xia Feng^a ; Yongfang Shi^b ; Liming Wu^b ; ^{liming_wu@fjirsm.ac.cn}
• 关键词：Y4GaSbS9 ; Crystal structure ; Nonlinear-optical property ; DFT study
• 刊名：Journal of Solid State Chemistry
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：245
• 期：Complete
• 页码：110-114
• 全文大小：809 K
• 卷排序：245

文摘

A new quaternary noncentrosymmetric sulfide Y4GaSbS9 has been synthesized by high-temperature solid-state reaction. Title compound adopted a known RE4GaSbS9-structure type in the orthorhombic space group Aba2 (no. 41). The large optical gap of 2.06 eV for Y4GaSbS9 was deduced from UV/Vis reflectance spectroscopy. DFT calculations are used to study the electronic structure and nonlinear optical properties of Y4GaSbS9.