Understanding and Controlling the Work Function of Perovskite Oxides Using Density Functional Theory
نویسندگان
چکیده
منابع مشابه
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Estimation of structure stability is an essential issue in materials design and synthesis. Global instability index (GII) based on bond-valence method is applied as a simple indication, while density functional theory calculation is adopted for accurate evaluation of formation energy. We compare the GII and total energy of typical ABO3-type perovskite oxides and rationalize their relationship, ...
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ژورنال
عنوان ژورنال: Advanced Functional Materials
سال: 2016
ISSN: 1616-301X,1616-3028
DOI: 10.1002/adfm.201600243