Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
}
TY - JOUR
T1 - Modeling of a structural phase transition in La2−x SrxCuO4
AU - Zakharov, A. Yu.
AU - Nikiforov, A. E.
AU - Shashkin, S. Yu.
N1 - This work was supported by the Russian Foundation for Basic Research (grant No. 96-03-32130a).
PY - 1999/6/1
Y1 - 1999/6/1
N2 - The structural, vibrational, and elastic properties of La2CuO4 are calculated using a model for calculating the energy of the crystal based on interionic potentials with the multiparticle Jahn-Teller contribution included explicitly. The microscopic reasons for the structural instability of the La2CuO4 lattice relative to rotations of the oxygen octahedra are investigated. A structural phase transition from the orthorhombic phase (space group D182h) into the tetragonal phase (space group D174h) under hydrostatic compression of an La2-xSrxCuO4 crystal is modeled. The (P,x) structural phase diagram for La2-xSrxCuO4 is constructed.
AB - The structural, vibrational, and elastic properties of La2CuO4 are calculated using a model for calculating the energy of the crystal based on interionic potentials with the multiparticle Jahn-Teller contribution included explicitly. The microscopic reasons for the structural instability of the La2CuO4 lattice relative to rotations of the oxygen octahedra are investigated. A structural phase transition from the orthorhombic phase (space group D182h) into the tetragonal phase (space group D174h) under hydrostatic compression of an La2-xSrxCuO4 crystal is modeled. The (P,x) structural phase diagram for La2-xSrxCuO4 is constructed.
UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=0033147583
UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=000081195100036
U2 - 10.1134/1.1130919
DO - 10.1134/1.1130919
M3 - Article
VL - 41
SP - 999
EP - 1004
JO - Physics of the Solid State
JF - Physics of the Solid State
SN - 1063-7834
IS - 6
ER -
ID: 53305857