Abstract
First-principles plane-wave pseudopotential calculations were conducted to investigate the atomic structure and energies of SmBa2Cu 3O6(Sm123)/BaZrO3(BZO) and Sm123/MgO interfaces. For Sm123/BZO, the interface was found energetically preferable when it composed of BaO layer under any possible conditions of chemical potentials. The stability of Sm123/BZO interface was attributed to local atomic arrangement. The chemical composition common to Sm123 and BZO was confirmed by high-resolution transmission electron microscopy.
Original language | English |
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Pages (from-to) | 2309-2318 |
Number of pages | 10 |
Journal | Journal of Applied Physics |
Volume | 95 |
Issue number | 5 |
DOIs | |
Publication status | Published - 2004 Mar 1 |
Externally published | Yes |
ASJC Scopus subject areas
- Physics and Astronomy(all)