Valence band electronic structure of Nd1−xYxMnO3 using X-ray absorption, photoemission and GGA + U calculations
學年 102
學期 1
出版（發表）日期 2013-08-01
作品名稱 Valence band electronic structure of Nd1−xYxMnO3 using X-ray absorption, photoemission and GGA + U calculations
作品名稱（其他語言）
著者 Padmanabhan Balasubramaniana; Harikrishnan S. Nair; Tsai, H. M.; S. Bhattacharjee; Liu, M. T.; Ruchika Yadav; chiou, J. W. ; Lin, H. J.; Pi, T. W.; Tsai, M. H.; Suja Elizabeth; Pao, C. W.; Wang, B. Y.; Chuang, C. H.; Pong, W. F.
單位 淡江大學物理學系
出版者 Amsterdam: Elsevier BV
著錄名稱、卷期、頁數 Journal of Electron Spectroscopy and Related Phenomena 189, pp.51–55
摘要 The electronic structures of Nd1−xYxMnO3 (x = 0–0.5) were studied using X-ray absorption near-edge structure (XANES) at the Mn L3,2- and O K-edge along with valence-band photoemission spectroscopy (VB-PES). The systematic increase in white-line intensity of the Mn L3,2-edge with doping, suggests a decrease in the occupancy of Mn 3d orbitals. The O K-edge XANES shows a depletion of unoccupied states above the Fermi energy. The changes in the O K-edge spectra due to doping reflects an increase in the Jahn–Teller distortion. The VB-PES shows broadening of the features associated with Mn 3d and O 2p hybridized states and the shift of these features to a slightly higher binding energy in agreement with our GGA + U calculations. The system shows a net shift of the occupied and unoccupied states away from the Fermi energy with doping. The shift in theoretical site-projected density of states of x = 0.5 composition with respect to x = 0 suggest a subtle change from a charge transfer to Mott–Hubbard type insulator.
關鍵字 X-ray absorption;Photoemission;Density of states;Strongly correlated systems
語言 en
ISSN 1873-2526
期刊性質 國外
收錄於 SCI
產學合作
通訊作者
審稿制度 是
國別 NLD
公開徵稿
出版型式 ,電子版,紙本
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