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High throughput exploration of Zr_xSi_1 − xO₂ dielectrics by evolutionary first-principles approaches

Authors:	Jin Zhang Qingfeng Zeng Artem R. Oganov Dong Dong Yunfang Liu

Affiliation:	1. Science and Technology on Thermostructural Composite Materials Laboratory, and International Center for Materials Discovery, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi''an, Shaanxi 710072, People''s Republic of China;2. Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, State University of New York, Stony Brook, NY 11794-2100, USA;3. Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700, Russia

Abstract:

Keywords:	Electronic materials Ab initio calculation Crystal structure Dielectric properties Optical properties
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