Similarities and differences in the construction of dispersion laws for charge carriers in semiconductor crystals and adiabatic potentials in molecules

• Дата: 2014
• Автори: Bercha, S.A., Rizak, V.M.
• Формат: Стаття
• Мова: English
• Опубліковано: Інститут фізики конденсованих систем НАН України 2014
• Назва видання: Condensed Matter Physics
• Онлайн доступ: http://dspace.nbuv.gov.ua/handle/123456789/153508
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Цитувати: Similarities and differences in the construction of dispersion laws for charge carriers in semiconductor crystals and adiabatic potentials in molecules / S.A. Bercha, V.M. Rizak // Condensed Matter Physics. — 2014. — Т. 17, № 2. — С. 23701:1-8. — Бібліогр.: 13 назв. — англ.

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 D₃d symmetry is considered herein as an example. The symmetries of normal vibrations active in Jahn-Teller's effect were defined. E-E 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 Jahn-Teller's effect. Dispersion law of charge carriers in the vicinity of Γ point of Brillouin zone of the crystal with D₃d² symmetry was considered as an example.