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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.

SUBMITTER: Xie C

PROVIDER: S-EPMC4663754 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Rational design of inorganic dielectric materials with expected permittivity.

Xie Congwei C Oganov Artem R AR Dong Dong D Liu Ning N Li Duan D Debela Tekalign Terfa TT

Scientific reports 20151130

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 ...[more]

PMID: 26617342

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