A model of the structure of the low-temperature orthorhombic phase (O') of LaMnO3 was constructed using pair potentials with explicitly allowing for the many-body Jahn-Teller contribution to the crystal energy. Microscopic factors that cause structural instability of the LaMnO3 lattice against rotations of oxygen octahedra and Jahn-Teller distortions were studied. Elastic and dielectric constants of the crystal in the O' phase and in phases distorted by the Jahn-Teller effect, as well as the frequencies of fundamental vibration modes, were calculated.
Переведенное названиеMicroscopic calculations of the structure and properties of the LaMnO3 crystal
Язык оригиналаРусский
Страницы (с-по)97-
ЖурналGuangzi Xuebao/Acta Photonica Sinica
Том27
Номер выпуска12
СостояниеОпубликовано - 1998

    Предметные области ASJC Scopus

  • Atomic and Molecular Physics, and Optics

ID: 56833620