Optical properties of cubic and tetragonal KTa0.5Nb0.5O3 by density functional theory |
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| Affiliation: | 1. Division of Energy and Environment in Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055, China;2. State Key Laboratory of New Ceramics and Fine Processing, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084, China;1. School of Metallurgy and Environment, Central South University, Changsha 410083, China;2. Faculty of Resource and Environmental Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, China;3. Faculty of Metallurgical and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, China;1. State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China;2. Institute for Materials Research, University of Leeds, Leeds LS2 9JT, UK;1. New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 30614 Pilsen, Czech Republic;2. Department of Physics, Hazara University, Mansehra, Pakistan;3. Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000, Algeria;4. College of Science, Physics department, Alfaisal University, P.O. Box 50927, Riyadh 11533, Saudi Arabia |
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| Abstract: | Using density functional methods, optical properties of KTa0.5Nb0.5O3 (KTN) are investigated. The imaginary part of dielectric function ε2(ω), the optical absorption coefficient I(ω) and the reflectivity R(ω) of KTN in the cubic (paraelectric) and tetragonal (ferroelectric) phases are calculated. The origin of the different behavior of the optical spectra between the two phases is discussed. |
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