Valence band electronic structure of Nd1-xYxMnO 3 using X-ray absorption, photoemission and GGA + U calculations

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

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)51-55
Number of pages5
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume189
DOIs
Publication statusPublished - 2013 Oct 1

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Valence band electronic structure of Nd<sub>1-x</sub>Y<sub>x</sub>MnO <sub>3</sub> using X-ray absorption, photoemission and GGA + U calculations'. Together they form a unique fingerprint.

Cite this