Effects of the Supercell's Size on Muon Positions Calculations of La2CuO4
| Autor: | Shukri Sulaiman, Muhammad Darwis Umar, Azwar Manaf, Mohamed Ismail Mohamed-Ibrahim, Dita Puspita Sari, Budhy Kurniawan, Suci Winarsih, Muhammad Redo Ramadhan, Irwan Ramli, Isao Watanabe |
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| Rok vydání: | 2019 |
| Předmět: |
Muon
Materials science Condensed matter physics 010308 nuclear & particles physics Mechanical Engineering 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Mechanics of Materials 0103 physical sciences Supercell (crystal) General Materials Science Density functional theory 0210 nano-technology |
| Zdroj: | Materials Science Forum. 966:465-470 |
| ISSN: | 1662-9752 |
| Popis: | The outcome of the density functional theory (DFT) technique within the supercell's framework of La2CuO4 (LCO) are reported. We evaluatedlocal dipolar fields of muon's position inside LCO assuming dipolar interaction is occurred by varying the supercell's size. We found out that the field on proposed muon's trapping positions were known to be not affected so much by supercell's size and still fairly larger than the experimental data. Our results suggest that the inclusion of quantum effects of implanted muon and the electronic spin are required to explain experimental data. |
| Databáze: | OpenAIRE |
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