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:First Principles Calculations of Linear and Second-Order Optical Responses in Rhombohedrally Distorted Perovskite Ternary Halides, CsGeX3 (X = Cl, Br, and I)
學年98
學期1
出版(發表)日期2009/11/01
作品名稱First Principles Calculations of Linear and Second-Order Optical Responses in Rhombohedrally Distorted Perovskite Ternary Halides, CsGeX3 (X = Cl, Br, and I)
作品名稱(其他語言)
著者Tang, Li-Chuan; Chang, Yia-Chung; Huang, Jung-Yau; Lee, Ming-Hsien; Chang, Chen-Shiung
單位淡江大學物理學系;0021-4922; 1347-4065
出版者Tokyo: Institute of Pure and Applied Physics
著錄名稱、卷期、頁數Japanese Journal of Applied Physics 48, 112402(9pages)
摘要Systematic studies based on first-principles calculations of second-order optical susceptibilities as well as the dielectric function of CsGeX3 (X = Cl, Br, and I; CGX) are presented. The relationship between structural properties and optoelectronic responses are examined. The structural factors Δα, and dGe, dX are proposed to describe the degree of distortion from an ideal perovskite structure. Δα and dGe increase when halide anions are changed from Cl to I; while halide anion displacement, dX, decreases. The structural distortion effect on these rhombohedral CGX crystals is analyzed by first-principles calculations. The dielectric function and the second harmonic generation (SHG) response coefficient also increase with increasing Δα and dGe. The direct band gaps (EG) of CsGeX3 all occur at the R-point, ΔER. The experimental band gaps of CGX crystals become smaller, i.e., ECGCG (=3.67 eV) >ECGBG (=2.32 eV) >ECGIG (=1.53 eV), as Δα and dGe increase, i.e., dCGCGe
關鍵字
語言英文
ISSN
期刊性質
收錄於SCI
產學合作
通訊作者Chang, Chen-Shiung
審稿制度
國別日本
公開徵稿
出版型式紙本
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