| Автор | P Marksteiner |
| Автор | P Weinberger |
| Автор | A Neckel |
| Автор | R Zeller |
| Автор | P H Dederichs |
| Дата выпуска | 1986-10-01 |
| dc.description | The influence of metal vacancies on the electronic structure of zirconium nitride is studied by means of the KKR-CPA method. Besides lowering the Fermi energy, the vacancies do not change profoundly the density of states. The contribution of the vacancy subcell to the density of states is analysed in terms of the resonance condition for virtual bound states. In particular it is found that contrary to the case of vacancies on the nonmetal sublattice, where a sharp a<sub>1g</sub>-like virtual bound state was found, for metal vacancies there is only a somewhat weak e<sub>g</sub>-like virtual bound state, but no t<sub>2g</sub>-like peak. In the case of vacancies on both sublattices, the a<sub>1g</sub>-like virtual bound state is present, but the e<sub>g</sub>-like peak vanishes almost completely. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | On the electronic structure of zirconium nitride: the influence of metal vacancies |
| Тип | paper |
| DOI | 10.1088/0305-4608/16/10/016 |
| Print ISSN | 0305-4608 |
| Журнал | Journal of Physics F: Metal Physics |
| Том | 16 |
| Первая страница | 1495 |
| Последняя страница | 1500 |
| Аффилиация | P Marksteiner; Inst. fur Tech. Elektrochem., Tech. Univ. of Vienna, Austria |
| Аффилиация | P Weinberger; Inst. fur Tech. Elektrochem., Tech. Univ. of Vienna, Austria |
| Аффилиация | A Neckel; Inst. fur Tech. Elektrochem., Tech. Univ. of Vienna, Austria |
| Аффилиация | R Zeller; Inst. fur Tech. Elektrochem., Tech. Univ. of Vienna, Austria |
| Аффилиация | P H Dederichs; Inst. fur Tech. Elektrochem., Tech. Univ. of Vienna, Austria |
| Выпуск | 10 |
