title: Rational design of inorganic dielectric materials with expected permittivity.
abstract: Techniques for rapid design of dielectric materials with appropriate permittivity for many important technological applications are urgently needed. It is found that functional structure blocks (FSBs) are helpful in rational design of inorganic dielectrics with expected permittivity. To achieve this, coordination polyhedra are parameterized as FSBs and a simple empirical model to evaluate permittivity based on these FSB parameters is proposed. Using this model, a wide range of examples including ferroelectric, high/low permittivity materials are discussed, resulting in several candidate materials for experimental follow-up.
authors.affiliation: International Center for Materials Discovery, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.|Science and Technology on Thermostructural Composite Materials Laboratory, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.
authors.forename: Congwei
authors.initials: C
authors.lastname: Xie
authors.affiliation: International Center for Materials Discovery, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.|Skolkovo Institute of Science and Technology, 3 Nobel St., Skolkovo 143025, Russia.|Moscow Institute of Physics and Technology, 9 Institutskiy Lane, Dolgoprudny City, Moscow Region 141700, Russia.|Department of Geosciences and Center for Materials by Design, Stony Brook University, Stony Brook, New York 11794, USA.
authors.forename: Artem R
authors.initials: AR
authors.lastname: Oganov
authors.affiliation: International Center for Materials Discovery, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.|Science and Technology on Thermostructural Composite Materials Laboratory, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.
authors.forename: Dong
authors.initials: D
authors.lastname: Dong
authors.affiliation: International Center for Materials Discovery, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.|Science and Technology on Thermostructural Composite Materials Laboratory, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.
authors.forename: Ning
authors.initials: N
authors.lastname: Liu
authors.affiliation: International Center for Materials Discovery, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.|Science and Technology on Thermostructural Composite Materials Laboratory, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.
authors.forename: Duan
authors.initials: D
authors.lastname: Li
authors.affiliation: International Center for Materials Discovery, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.|Science and Technology on Thermostructural Composite Materials Laboratory, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, P.R. China.
authors.forename: Tekalign Terfa
authors.initials: TT
authors.lastname: Debela