کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5377339 | 1389386 | 2006 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The relativistic EÂ ÃÂ E Jahn-Teller effect revisited
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The vibronic Hamiltonian describing linear Jahn-Teller coupling as well as spin-orbit coupling in systems of trigonal symmetry is derived in the diabatic spin-orbital representation, employing the microscopic (Breit-Pauli) spin-orbit coupling operator in the single-electron approximation. The analysis generalizes previous treatments based on more phenomenological models of spin-orbit coupling. It is shown that an alternative time-reversal symmetry adapted diabatic representation exists, in which the 4Â ÃÂ 4 Jahn-Teller spin-orbit vibronic Hamiltonian is block-diagonal. The adiabatic electronic wave functions are obtained in explicit form. The topological phases (Berry's phases) of all four adiabatic electronic basis states are calculated. As found previously for the special case of systems with D3h symmetry, the topological phases depend on the radius of the loop of integration.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 322, Issue 3, 20 March 2006, Pages 405-410
Journal: Chemical Physics - Volume 322, Issue 3, 20 March 2006, Pages 405-410
نویسندگان
Wolfgang Domcke, Sabyashachi Mishra, Leonid V. Poluyanov,