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...
Main Authors: | Rowley, A, Wilson, M, Madden, P |
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格式: | Journal article |
語言: | English |
出版: |
IOP
1999
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