The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation
學年 107
學期 2
出版（發表）日期 2019-02-01
作品名稱 The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation
作品名稱（其他語言）
著者 Qiaoqiao Zhang; Hahaer Mushahali; Haiming Duan; Ming-Hsien Lee; Qun Jing
單位
出版者
著錄名稱、卷期、頁數 Optik 179, p.89–98
摘要 In this paper, the linear and second order nonlinear optical properties of CsGeX3 (X = Cl, Br, and I) compounds have been investigated using the finite field method combined with the density functional investigation. The obtained results are in good agreement with the experimental values. The electron density distribution nearby the fermi level is the lobe-like lone pair electrons which make the germanium-halogen polyhedron distorted. The atomic contribution to the birefringence and SHG response is analyzed using the Born effective charges, the variation of the atomic charges, and the SHG density method. The results show that the germanium and halogen atoms give main contribution to the optical anisotropic birefringence and the SHG response.
關鍵字 IR NLO compounds;Finite field method;Birefringence;Born effective charges
語言 en
ISSN
期刊性質 國外
收錄於 SCI
產學合作
通訊作者
審稿制度 否
國別 NLD
公開徵稿
出版型式 ,電子版,紙本
相關連結

機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/117076 )