Interstitial oxygen critical to the emergence of superconductivity in Fe1+yTeOx thin films has been detected. Its location and concentration are measured by atomic-resolution electron-energy-loss spectroscopy with x=0.09. The density functional theory calculations show that oxygen incorporation leads to local disorder in the magnetic moments of Fe, hole doping by oxygen forming ionic bonds with Fe, and a large magnetic- and position-dependent increase or reduction in the Te-Fe-Te bond angles. An examination of bonding based on charge density further reveals covalent charge between Fe and Te, and its reduction with O doping.
|Original language||English (US)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Nov 19 2014|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics