First-principles investigations of Ba2NaIO6 double Perovskite semiconductor: Material for low-cost energy technologies
出版年份 2021 全文链接
标题
First-principles investigations of Ba2NaIO6 double Perovskite semiconductor: Material for low-cost energy technologies
作者
关键词
FP-LAPW method, Structural properties, Elastic constants, Optoelectronic properties, DFT, Energy harvesting applications
出版物
MATERIALS CHEMISTRY AND PHYSICS
Volume 275, Issue -, Pages 125237
出版商
Elsevier BV
发表日期
2021-09-22
DOI
10.1016/j.matchemphys.2021.125237
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- (2020) Sarah E. O’Sullivan et al. INORGANIC CHEMISTRY
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- (2017) T. Seddik et al. SUPERLATTICES AND MICROSTRUCTURES
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- (2016) Pinku Roy et al. INTEGRATED FERROELECTRICS
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- (2016) M. A. Hadi et al. JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
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- (2016) D R Bowler JOURNAL OF PHYSICS-CONDENSED MATTER
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- (2016) Samah Al-Qaisi et al. PHASE TRANSITIONS
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- (2008) Lon E. Bell SCIENCE
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