作者: Sinisa Coh , Tassilo Heeg , J. H. Haeni , M. D. Biegalski , J. Lettieri
DOI: 10.1103/PHYSREVB.82.064101
关键词:
摘要: We analyze both experimentally (where possible) and theoretically from first-principles the dielectric tensor components crystal structure of five classes Pbnm perovskites. All these materials are believed to be stable on silicon therefore promising candidates for high-K dielectrics. also with various simple models, decompose lattice contribution into force constant matrix eigenmode contributions, explore a peculiar correlation between structural anisotropies in compounds give phonon frequencies infrared activities those modes that infrared-active. find CaZrO3, SrZrO3, LaHoO3, LaYO3 among most dielectrics we considered.