کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5396100 | 1505741 | 2013 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Valence band electronic structure of Nd1âxYxMnO3 using X-ray absorption, photoemission and GGAÂ +Â U calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The electronic structures of Nd1âxYxMnO3 (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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 189, August 2013, Pages 51-55
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 189, August 2013, Pages 51-55
نویسندگان
Padmanabhan Balasubramanian, Harikrishnan. S. Nair, H.M. Tsai, S. Bhattacharjee, M.T. Liu, Ruchika Yadav, J.W. Chiou, H.J. Lin, T.W. Pi, M.H. Tsai, Suja Elizabeth, C.W. Pao, B.Y. Wang, C.H. Chuang, W.F. Pong,