Condensed Matter Physics, 2014, vol. 17, No. 2, p. 23701:18
DOI:10.5488/CMP.17.23701
arXiv:1407.2427
Title:
Similarities and differences in the construction of dispersion laws for charge carriers in semiconductor crystals and adiabatic potentials in molecules
Author(s):

S.A. Bercha
(Uzhgorod National University, 54Voloshyn St., 88000 Uzhgorod, Ukraine)
,


V.M. Rizak
(Uzhgorod National University, 54Voloshyn St., 88000 Uzhgorod, Ukraine)

Using the group theory and the method of invariants, it is shown how the vibronic potential can be written in a matrix form and the corresponding adiabatic potentials can be found. The molecule having D_{3d} symmetry is considered herein as an example. The symmetries of normal vibrations active in JahnTeller's effect were defined. EE vibronic interaction was considered to obtain vibronic potential energy in a matrix form and thus the adiabatic potential. Significant differences are shown in the construction of a secular matrix D(k) for defining a dispersion law for charge carriers in the crystals and the matrix of vibronic potential energy, which depends on the normal coordinates of normal vibrations active in JahnTeller's effect. Dispersion law of charge carriers in the vicinity of Γ point of Brillouin zone of the crystal with D_{3d}^{2} symmetry was considered as an example.
Key words:
JahnTeller's effect, method of invariants, dispersion law, adiabatic potential
PACS:
71.70.Ej, 71.20.b, 61.50.Ah, 02.20.a, 31.15.Hz
