Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
The electric field gradient (EFG) tensor at the aluminum nucleus sites in yttrium-aluminum garnet Y3Al5O12 is calculated using the Hartree-Fock method and the nonempirical cluster approach. It is shown that the EFG tensor at the Altetr sites is described well taking into account the nearest neighbors (an [AlO4]-5 cluster), whereas for the Aloct sites the effect of more distant ions is important. The results are compared with the available experimental data and the results of band calculations.
Язык оригинала | английский |
---|---|
Страницы (с-по) | 1684-1688 |
Число страниц | 5 |
Журнал | Physics of the Solid State |
Том | 48 |
Номер выпуска | 9 |
DOI | |
Состояние | Опубликовано - сен 2006 |
ID: 16796878