First-principles investigation of Ra doping effects on structural, electronic, and optical properties of BaTiO3 perovskite for solar cell applications
This study investigates the properties of radium-doped barium titanate (BaTiO _3 ). Using the generalized gradient approximation (GGA) based on the Perdew–Burke–Ernzerhof (PBE) approach, the bandgap energies of pure BaTiO _3 (indirect band 1.61691 eV) and RaTiO _3 (direct band 1.63612 eV) were deter...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2025-01-01
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| Series: | Journal of Physics Communications |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2399-6528/adb09d |
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