Crystal structure and surface relaxation in Cr2O3 with a transferable oxide interaction potential
An extended ionic interaction model, originally devised for alkaline earth oxides, is transformed into a potential for Cr2O3 by scaling parameters in a well-defined way to allow for the changes in cation radius and charge and in ionic polarizability. The extended ionic model allows for the induction...
| Prif Awduron: | , , |
|---|---|
| Fformat: | Journal article |
| Iaith: | English |
| Cyhoeddwyd: |
IOP
1999
|