Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
The results of ab initio Hartee-fock calculations of the LaMnO3(110) surface were presented. The properties of a stoichiometric surface were compared with oxygen vacancies by using seven-plane slabs, periodic in 2D and containing three formula units. The surface energy before and after relaxation, for both ferromagnetic and antiferromagnetic spin orderings in a slab was also calculated.
Язык оригинала | английский |
---|---|
Страницы (с-по) | 367-371 |
Число страниц | 5 |
Журнал | Solid State Communications |
Том | 127 |
Номер выпуска | 5 |
DOI | |
Состояние | Опубликовано - июл 2003 |
ID: 84355142