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...
| প্রধান লেখক: | , , |
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| বিন্যাস: | Journal article |
| ভাষা: | English |
| প্রকাশিত: |
IOP
1999
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