請用此 Handle URI 來引用此文件:
http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/18481
標題: | 第一原理與電磁模擬計算金(111)薄層之光學特性 First Principle and Electromagnetic Theory to Study the Optical Property of Au(111) Thin Film |
作者: | In-Bai Lin 林尹白 |
指導教授: | 李佳翰(Jia-Han Li) |
關鍵字: | 密度泛涵理論,線性響應定理,光學介電係數,時域有限差分法,金薄層,金光柵, density functional theory,linear response time-dependent density functional theory,optical permittivity,finite-difference time-domain,gold thin film,gold grating, |
出版年 : | 2014 |
學位: | 碩士 |
摘要: | 我們使用密度泛涵理論與線性響應定理模擬塊材金與金(111)薄層之光學介電常數。利用GLLBSC 函數修正LDA與PBE函數低估電子從低能階躍遷至高能接之能量。在金屬塊材之介電常數,GLLBSC函數可以有效的與實驗量測之光學介電常數吻合。並利用密度泛涵理論與線性響應定理模擬特定厚度金(111)薄層之光學介電常數。我們利用二維時域有限差分法,根據特定厚度金(111)薄層之光學介電常數進行金薄層與金光柵之穿透、反射及損耗頻譜,並與常用之實驗光學介電係數之結果比較。在光柵結構之共振波長下,我們發現不同的交換相關能所預測之電場差異不大,但是在能流方面有明顯的差異性。此差異影響金屬薄層結構之穿透、反射及損耗頻譜特性。 The permittivities of noble metal are dependent on its thickness. The bulk gold permittivities calculated by GLLBSC functional have much closer values to the experimental data in comparison with the results of LDA and PBE functionals. The permittivities of Au(111) thin film calculated by LDA, PBE and GLLBSC functionals are compared and used for electromagnetic simulations for gold thin film and gold grating on the silicon dioxide substrate. For gold thin film, it is demonstrated that the maximum transmittance predicted by DFT-based optical permittivity is larger than the results obtained using the Johnson and Christy permittivities. For gold grating structure, the spectra are not only affected by the optical permittivities calculated by different exchange correlation functional, but are also related to the topological singularity of power flows. |
URI: | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/18481 |
全文授權: | 未授權 |
顯示於系所單位: | 工程科學及海洋工程學系 |
文件中的檔案:
檔案 | 大小 | 格式 | |
---|---|---|---|
ntu-103-1.pdf 目前未授權公開取用 | 2.75 MB | Adobe PDF |
系統中的文件,除了特別指名其著作權條款之外,均受到著作權保護,並且保留所有的權利。