Physics – Condensed Matter – Materials Science
Scientific paper
2000-01-25
Physics
Condensed Matter
Materials Science
6 pages, 4 figures
Scientific paper
10.1103/PhysRevB.62.11571
The (001) surface of La_{1-x}Ca_xMnO_3 system in various magnetic orderings is studied by first principle calculations. A general occurrence is that z^2 dangling bond charge -- which is ``invisible'' in the formal valence picture -- is promoted to the bulk gap/Fermi level region. This drives a double-exchange-like process that serves to align the surface Mn spin with its subsurface neighbor, regardless of the bulk magnetic order. For heavy doping, the locally ``ferromagnetic'' coupling is very strong and the moment enhanced by as much as 30% over the bulk value.
Filippetti Alessio
Pickett Warren E.
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