教師資料查詢 | 類別: 期刊論文 | 教師: 李明憲 LEE, MING-HSIEN (瀏覽個人網頁)

標題:Hierarchy in nonlinear optical responses induced by metal cation tailoring effect in the In-containing chalcogenide compounds
學年107
學期2
出版(發表)日期2019/06/05
作品名稱Hierarchy in nonlinear optical responses induced by metal cation tailoring effect in the In-containing chalcogenide compounds
作品名稱(其他語言)
著者Shichao Cheng; Xueyan Zhang; Ming-Hsien Lee; Jun Zhang
單位
出版者
著錄名稱、卷期、頁數Journal of alloys and compounds 788, p.1021-1028
摘要Factors controlling the nonlinear optical (NLO) responses of infrared materials remain unclear due to the complex systems spanning the whole main group elements and also transition elements. The microscopic mechanism of cation-affected optical properties is consequently necessary to the mid-infrared region. In this research work, the covalence, electronic structure and mechanism of nonlinear optical (NLO) responded for a typical IR system, In-containing chalcogenides with the formula MInS2 (M = Ag, Li), are systemically investigated. It reveals that the orbitals hybridization, size effect and the cation electronegativity induce the changes of band gaps. Via tailoring the A-site cations, the microscopic factors affecting the optical band gap are analyzed. In addition to the effect of anionic groups on optical properties, we have found that the contributions of the A-site cations are not negligible. Furthermore, the electronic structures of sulfur in the compounds are susceptible to the type of cations, and consequently affect the NLO properties.
關鍵字Density functional theory;Electronic structure;Nonlinear optical properties;Influence of cations
語言英文
ISSN
期刊性質國外
收錄於SCI;
產學合作
通訊作者
審稿制度
國別荷蘭
公開徵稿
出版型式,電子版,紙本
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