DOI

We used hybrid density functional theory to investigate 50% cubic solid solutions based on Fe-doped LaGaO3 and LaAlO3. The supercell composed of 8 primitive cells was used. All the possible configurations of the solid solutions considering specific magnetic ordering were split into Symmetry Independent Classes (SICs). Optimized geometry, energy and electron properties were calculated for one representative structure of each class. Magnetic coupling constants were obtained using Ising model. Estimated temperature dependences of the magnetic moment demonstrated qualitatively differences for considered solid solutions.

Язык оригиналаанглийский
Страницы (с-по)1-6
Число страниц6
ЖурналIntegrated Ferroelectrics
Том196
Номер выпуска1
DOI
СостояниеОпубликовано - 12 фев 2019

    Предметные области Scopus

  • Электроника, оптика и магнитные материалы
  • Системотехника
  • Керамика и композитные материалы
  • Физика конденсатов
  • Электротехника и электроника
  • Химия материалов

ID: 43147849