| Автор | He Xiaoguang |
| Автор | Huang Meichun |
| Дата выпуска | 1989-08-14 |
| dc.description | The spin-polarised band structure, density of states (DOS), magnetic moments and exchange interaction coefficients for a layer structure Zn<sub>0.5</sub>Mn<sub>0.5</sub>Se in the ferromagnetic phase have been calculated using the self-consistent linear muffin-tin orbital atomic sphere approximation method. Its band structure and DOS distribution are explained through a p-d repulsion model. The band structure in the antiferromagnetic phase is also analysed qualitatively in terms of the p-d repulsion mechanism. The results of the present work show that the bands are strongly polarised. In the case of spin up, the bands are direct, with a band gap of 0.68 eV and a filled Mn 3d valence band whereas, for the spin-down case, the bands are indirect, with a band gap of 1.81 eV and an empty Mn 3d conduction band. These results are in agreement with Hund's rule. The calculated total magnetic moment is 4.81 mu <sub>B</sub>/cell; the p-d and s-d exchange interaction coefficients are -1.10 eV and 0.04 eV, respectively. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Spin-polarised band structure for the semimagnetic semiconductor Zn<sub>0.5</sub>Mn<sub>0.5</sub>Se |
| Тип | paper |
| DOI | 10.1088/0953-8984/1/32/006 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 1 |
| Первая страница | 5371 |
| Последняя страница | 5380 |
| Аффилиация | He Xiaoguang; Dept. of Phys., Xiamen Univ., China |
| Аффилиация | Huang Meichun; Dept. of Phys., Xiamen Univ., China |
| Выпуск | 32 |
