DFT Investigation of Structural and Electronic Properties of Modified PZT
Density of states and geometrical structures of modified Lead zirconate titanate are investigated using density functional theory within local density approximation. The electronic properties and bond length variation have been studied in terms of electronic structure and bonding mechanism principle...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Sciendo
2019-06-01
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| Series: | Acta Chemica Iasi |
| Subjects: | |
| Online Access: | https://doi.org/10.2478/achi-2019-0002 |