Crystal structure and surface relaxation in Cr2O3 with a transferable oxide interaction potential

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...

書目詳細資料
Main Authors:	Rowley, A, Wilson, M, Madden, P
格式:	Journal article
語言:	English
出版:	IOP 1999

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