Spin Alignment Studies on the Muon-Site Determination in La2CuO4
| Autor: | Shukri Sulaiman, Mohamed Ismail Mohamed-Ibrahim, Dita Puspita Sari, Irwan Ramli, Budhy Kurniawan, Muhammad Redo Ramadhan, Azwar Manaf, Isao Watanabe |
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| Rok vydání: | 2020 |
| Předmět: |
010302 applied physics
Muon Materials science Mechanical Engineering 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Nuclear physics Mechanics of Materials 0103 physical sciences Condensed Matter::Strongly Correlated Electrons General Materials Science Density functional theory 0210 nano-technology Spin-½ |
| Zdroj: | Key Engineering Materials. 860:154-159 |
| ISSN: | 1662-9795 |
| Popis: | Here we report spin-alignment contributions to muon coordinate calculated utilizing density functional theory (DFT) calculation. We estimated four different antiferromagnetic (AF) spin alignments in La2CuO4. We observed small changes by adjusting spin configurations in DFT calculations. Cu-spin value of 0.61 µB is constant in all calculations. The insulating gap of 1.9 eV is unchanged in all configurations. Muon coordinate was defined as the most minimum energy in atomic potential distribution. By assuming that Cu-spin is a point dipole for each atom, internal fields for muon were calculated and compared to known experimental results. |
| Databáze: | OpenAIRE |
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