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.
Translated title of the contributionMicroscopic calculations of the structure and properties of the LaMnO3 crystal
Original languageRussian
Pages (from-to)97-
JournalGuangzi Xuebao/Acta Photonica Sinica
Volume27
Issue number12
Publication statusPublished - 1998

    ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

ID: 56833620