DOI

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 оригиналаанглийский
Страницы (с-по)367-371
Число страниц5
ЖурналSolid State Communications
Том127
Номер выпуска5
DOI
СостояниеОпубликовано - июл 2003

    Предметные области Scopus

  • Химия (все)
  • Физика конденсатов
  • Химия материалов

ID: 84355142