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Overview of the Structural, Electronic and Optical Properties of the Cubic and Tetragonal Phases of PbTiO(3) by Applying Hubbard Potential Correction
We have performed a systematic study resulting in detailed information on the structural, electronic and optical properties of the cubic (Pm [Formula: see text] m) and tetragonal (P4mm) phases of PbTiO(3) applying the GGA/PBE approximation with and without the Hubbard U potential correction. Through...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10304663/ https://www.ncbi.nlm.nih.gov/pubmed/37374487 http://dx.doi.org/10.3390/ma16124302 |