کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7919846 | 1511484 | 2018 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Anisotropy optical properties of KSr2Nb5O15 lead-free ferroelectrics: First-principle calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The electronic and optical properties of KSr2Nb5O15 (KSN) are investigated via first principle calculations along (100), (010), and (001) directions. The results show that KSN has a huge anisotropy in optical properties with a larger dielectric constant, reflectivity, refractive index and extinction coefficient at (001) direction than that at (100) and (010) directions, suggesting much easier transition of electrons at (001) direction. Dielectric function and conductivity calculation results verify that electronic transition mainly appears between Nb-4d and O-2p state. KSN is transparent in the range of 0-2.3â¯eV, while shows refractivity in the range of 2.5-5â¯eV and shows favorable reflectivity in the range of 3.6-7.8â¯eV. These theoretical insights into the microscopic intrinsic properties of KSN would provide fundament for further understanding KSN materials and broadening its application fields.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 122, November 2018, Pages 130-136
Journal: Journal of Physics and Chemistry of Solids - Volume 122, November 2018, Pages 130-136
نویسندگان
Qian Chen, Jie Xu, Shuyao Cao, Maosen Fu, Min Wang, Feng Gao,