کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7988071 1515534 2018 24 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Prediction on electronic structure of CH3NH3PbI3/Fe3O4 interfaces
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
Prediction on electronic structure of CH3NH3PbI3/Fe3O4 interfaces
چکیده انگلیسی
The interfacial electronic structures of CH3NH3PbI3(MAPbI3)/Fe3O4 heterostructures are predicted by density functional theory. Four models (MAI/FeBO, PbI2/FeBO, MAI/FeA and PbI2/FeA) are included. Especially, a half-metal to semiconductor transition of Fe3O4 appears in PbI2/FeA model. A series of electric field is added to PbI2/FeA model, and a direct-indirect bandgap transition of Fe3O4 appears at a 500-kV/cm field. The electric field can control the bandgap of Fe3O4 in PbI2/FeA model by modulating the hybridization. The prediction of spin-related bandgap characteristic in MAPbI3/Fe3O4 is meaningful for further study.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 269, January 2018, Pages 90-95
نویسندگان
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