教師資料查詢 | 類別: 期刊論文 | 教師: 張經霖 CHANG, HENRY CHING-LIN (瀏覽個人網頁)

標題:Electronic structure of nanostructured ZnO from x-ray absorption and emission spectroscopy and the local density approximation
學年93
學期1
出版(發表)日期2004/11/01
作品名稱Electronic structure of nanostructured ZnO from x-ray absorption and emission spectroscopy and the local density approximation
作品名稱(其他語言)
著者Dong, C. L.; Persson, C.; Vayssieres, L.; Augustsson, A.; Schmitt, T.; Mattesini, M.; Ahuja, R.; Chang, C. L.; Guo, J. H.
單位淡江大學物理學系
出版者College Park: American Physical Society
著錄名稱、卷期、頁數Physical Review B (Condensed Matter and Materials Physics) 70(19), 195325(5pages)
摘要O 1s absorption spectroscopy (XAS) and O Kα emission spectroscopy (XES) were performed to study the electronic structure of nanostructured ZnO. The band gap is determined by the combined absorption-emission spectrum. Resonantly excited XES spectra showing an energy dependence in the spectral shape reveal the selected excitations to the different Zn 3d, 4s, and 4p states in hybridization with O 2p states. The partial density of state obtained from local density approximation (LDA) and LDA+U calculations are compared with the experimental results. The LDA+U approach is suitable to correct LDA self-interaction error of the cation d states. The atomic eigenstates of 3d in zinc and 2p in oxygen are energetically close, which induces the strong interaction between Zn 3d and O 2p states. This anomalous valence band cation-d–anion-p hybridization is verified by taking into account the strong localization of the Zn 3d states.
關鍵字zinc oxide; absorption spectroscopy; density functional theory; energy;excitation; flame photometry; hybridization; molecular interaction; structure analysis
語言英文
ISSN1098-0121
期刊性質國外
收錄於SCI
產學合作
通訊作者
審稿制度
國別美國
公開徵稿
出版型式紙本
相關連結
Google+ 推薦功能,讓全世界都能看到您的推薦!