A combined DFT/LEED-approach for complex oxide surface structure determination: Fe3O4(0 0 1) (2008)
Pentcheva, Rossitza, Moritz, W., Rundgren, J., Frank, S., Schrupp, D., Scheffler, Matthias
A combination of density functional theory (DFT) calculations and low energy electron diffraction (LEED) analysis is used to determine the surface structure of Fe3O4 (100). We find that the surface...
Manifestations of Broken Symmetry: The Surface Phases of Ca(2-x)Sr(x)RuO4 (2007)
Moore, R. G., Nascimento, V. B., Zhang, Jiandi, Rundgren, J., Jin, R., Mandrus, D., ...
The surface structural phases of Ca(2-x)Sr(x)RuO(4) are investigated using quantitative Low Energy Electron Diffraction. The broken symmetry at the surface enhances the structural instability against...