Charge-transfer electrostatic model of compositional order in perovskite alloys
نویسندگان
چکیده
منابع مشابه
Charge transfer electrostatic model of compositional order in
We introduce an electrostatic model including charge transfer, which is shown to account for the observed B-site ordering in Pb-based perovskite alloys. The model allows charge transfer between A-sites and is a generalization of Bellaiche and Vanderbilt’s purely electrostatic model. The large covalency of Pb2+ compared to Ba2+ is modeled by an environment dependent effective A-site charge. Mont...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2001
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.63.184113