Atomic and electronic structure of perfect and defective PbZrO3 perovskite: Hybrid DFT calculations of cubic and orthorhombic phases

S. Piskunov*, A. Gopeyenko, E. A. Kotomin, Yu F. Zhukovskii, D. E. Ellis

*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

37 Scopus citations

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Chemistry