Theoretical Mn K-edge XANES for Li 2MnO 3: DFT+U study

Modelling and Simulation in Materials Science and Engineering

Volumn 20, Issue 4, 2012, Pages

  Tamura, Tomoyuki ^a   Ohwaki, Tsukuru ^b   Ito, Atsushi ^b   Ohsawa, Yasuhiko ^b   Kobayashi, Ryo ^a   Ogata, Shuji ^a  

^a NAGOYA INSTITUTE OF TECHNOLOGY   (Japan)

^b NISSAN MOTOR CO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION REGION; EXPERIMENTAL SPECTRA; GENERAL GRADIENT APPROXIMATION; PROJECTOR AUGMENTED WAVES; REFERENCE COMPOUNDS; SPECTRAL FEATURE; VALENCE STATE; X-RAY ABSORPTION NEAR-EDGE STRUCTURE; XANES;

MANGANESE OXIDE;

MANGANESE;

EID: 84860715564     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/20/4/045006     Document Type: Article

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