| Автор | Michi-To Suzuki |
| Автор | Peter M Oppeneer |
| Дата выпуска | 2010-03-01 |
| dc.description | The electronic structures and Kondo insulator state of the Pu monochalcogenides are computationally investigated, using the local density approximation (LDA), the LDA+U and dynamical mean field theory (LDA+DMFT) methods. We show that an enhanced hybridization of the Pu-5f state with the conduction bands occurs through the dynamical effect in the DMFT, which leads to the effective formation of a small energy gap around the Fermi level. Our LDA+DMFT calculations explain quantitatively the anomalous energy gap enhancement under pressure, observed for PuTe. The peculiar change of the energy gap of PuTe with pressure is found to result from a subtle crossover in the k-dispersion of the lowest excited states. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Копирайт | © 2010 IOP Publishing Ltd |
| Название | Theory of the insulator ground state of the plutonium monochalcogenides: An LDA+DMFT investigation |
| Тип | paper |
| DOI | 10.1088/1757-899X/9/1/012086 |
| Electronic ISSN | 1757-899X |
| Print ISSN | 1757-8981 |
| Журнал | IOP Conference Series: Materials Science and Engineering |
| Том | 9 |
| Первая страница | 12086 |
| Последняя страница | 12092 |
| Аффилиация | Michi-To Suzuki; Department of Physics and Materials Science, Box 530, Uppsala University, S-751 21 Uppsala, Sweden |
| Аффилиация | Peter M Oppeneer; Department of Physics and Materials Science, Box 530, Uppsala University, S-751 21 Uppsala, Sweden |
| Выпуск | 1 |
