Physics – Condensed Matter – Superconductivity
Scientific paper
2004-03-04
Physics
Condensed Matter
Superconductivity
Submitted to PRL
Scientific paper
10.1103/PhysRevB.70.172503
Possible candidates for the Mg2B3Ox nanostructures observed in bulk of polycrystalline MgB2 (Ref.1) have been studied using a combination of Z-contrast imaging, electron energy loss spectroscopy (EELS) and first-principles calculations. The electronic structures, phonon modes, and electron phonon coupling parameters are calculated for two oxygen-ordered MgB2 compounds of composition Mg2B3O and Mg2B3O2, and compared with those of MgB2. We find that the density of states for both Mg2B3Ox structures show very good agreement with EELS, indicating that they are excellent candidates to explain the observed coherent oxygen precipitates. Incorporation of oxygen reduces the transition temperature and gives calculated TC values of 18.3 K and 1.6 K for Mg2B3O and Mg2B3O2, respectively.
Browning Nigel D.
Idrobo Juan-Carlos
Klie Robert F.
Ogut Serdar
Yildirim Taner
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