Si-compatible candidates for high-K dielectrics with the Pbnm perovskite structure
- Rutgers University
- Cornell University
- Pennsylvania State University
- ORNL
- Leibniz Institute for Crystal Growth (IKZ)
- Institute for Crystal Growth, Berlin, Germany
We analyze both experimentally (where possible) and theoretically from first-principles the dielectric tensor components and crystal structure of five classes of Pbnm perovskites. All of these materials are believed to be stable on silicon and are therefore promising candidates for high-K dielectrics. We also analyze the structure of these materials with various simple models, decompose the lattice contribution to the dielectric tensor into force constant matrix eigenmode contributions, explore a peculiar correlation between structural and dielectric anisotropies in these compounds and give phonon frequencies and infrared activities of those modes that are infrared-active. We find that CaZrO3, SrZrO3, LaHoO3, and LaYO3 are among the most promising candidates for high-K dielectrics among the compounds we considered.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 984781
- Journal Information:
- Physical Review B, Vol. 82, Issue 6; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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