Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9594671 | Surface Science | 2005 | 9 Pages |
Abstract
In this work the morphology of MgO ultrathin films of thickness T from 1 to 3 monolayers (ML), supported at the Ag(1Â 0Â 0) surface, has been accurately addressed by employing periodic quantum chemical calculations. The condition of perfect epitaxy imposes to the overlayer a strain whose elastic constants are the same as in the bulk. In the case of TÂ =Â 3Â ML, the in plane and the out of plane Mg-O distances and the interface distance are in excellent agreement with the available experimental data.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Anna Maria Ferrari,