Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Calculation of the vibrational spectrum of the Jahn-Teller crystal KCuF3
AU - Nikiforov, A. E.
AU - Shashkin, S. Yu.
PY - 1996
Y1 - 1996
N2 - The structural parameters, the elastic and dielectric constants, and the vibrational spectrum of KCuF3 have been calculated in a pair-interaction model including multiparticle Jahn-Teller contributions to the energy and dynamic matrix of the crystal. The model calculations performed using different values of the Jahn-Teller coupling constants show that the Jahn-Teller contribution to the energy of the crystal has a decisive influence on the formation of the structure and on the specific physical properties of KCuF3. © 1996 American Institute of Physics.
AB - The structural parameters, the elastic and dielectric constants, and the vibrational spectrum of KCuF3 have been calculated in a pair-interaction model including multiparticle Jahn-Teller contributions to the energy and dynamic matrix of the crystal. The model calculations performed using different values of the Jahn-Teller coupling constants show that the Jahn-Teller contribution to the energy of the crystal has a decisive influence on the formation of the structure and on the specific physical properties of KCuF3. © 1996 American Institute of Physics.
UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=0030371106
M3 - Article
VL - 38
SP - 1880
EP - 1884
JO - Physics of the Solid State
JF - Physics of the Solid State
SN - 1063-7834
IS - 11
ER -
ID: 54153769