Insights into oxygen-cation bonding in fresnoite-type structures from O K- and Ti L23-electron energy-loss spectra and ab initio calculations of the electronic structure

Physics and Chemistry of Minerals

Volumn 31, Issue 8, 2004, Pages 543-552

  van Aken, P A ^a   Hoche T ^b   Heyroth, F ^c   Keding, R ^d   Uecker, R ^e  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b Leibniz Institut   (Germany)

^c MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

^d FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

^e LEIBNIZ INSTITUTE FOR CRYSTAL GROWTH   (Germany)

Author keywords

Ab initio full multiple scattering calculations; Electron energy loss spectroscopy; Fresnoite; Incommensurate 2 D structural modulation; Partial density of states calculations

Indexed keywords

CARRIER CONCENTRATION; COMPUTER SIMULATION; ENERGY DISSIPATION; OXYGEN; POSITIVE IONS;

CATION ORBITALS; DENSITY OF STATES (DOS); ELECTRON ENERGY LOSS SPECTROMETRY (EELS); IONIC RADII;

ELECTRON ENERGY LEVELS;

CHEMICAL BONDING; CRYSTAL CHEMISTRY; OXYGEN; XANES SPECTROSCOPY;

EID: 7544231738     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00269-004-0411-1     Document Type: Article

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