TY - JOUR

T1 - Microscopic calculations of the structure and properties of the LaMnO3 crystal

AU - Nikiforov, A. E.

AU - Popov, S. E.

AU - Shashkin, S. Yu.

PY - 1998

Y1 - 1998

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=0031611259

M3 - Статья

VL - 27

SP - 97-

JO - Guangzi Xuebao/Acta Photonica Sinica

JF - Guangzi Xuebao/Acta Photonica Sinica

SN - 1004-4213

IS - 12

ER -