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 the 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.
Original languageEnglish
Pages (from-to)97 - 102
Number of pages6
JournalPhysics of Metals and Metallography
Volume87
Issue number2
Publication statusPublished - 1999

    ASJC Scopus subject areas

  • Materials Chemistry
  • Condensed Matter Physics

ID: 56139588