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- W2011651349 abstract "It is shown that orbitally degenerate states in highly symmetric systems are split by Jahn-Teller forces which are of relativistic origin (that is, they arise from the spin-orbit coupling operator). For the example of tetrahedral systems, the relativistic Jahn-Teller Hamiltonians of orbitally degenerate electronic states with spin $1/2$ are derived. While both electrostatic and relativistic forces contribute to the Jahn-Teller activity of vibrational modes of $E$ and ${T}_{2}$ symmetry in ${}^{2}{T}_{2}$ states of tetrahedral systems, the electrostatic and relativistic Jahn-Teller couplings are complementary for ${}^{2}E$ states: The $E$ mode is Jahn-Teller active through electrostatic forces, while the ${T}_{2}$ mode is Jahn-Teller active through the relativistic forces. The relativistic Jahn-Teller parameters have been computed with ab initio relativistic electronic-structure methods. It is shown for the example of the tetrahedral cluster cations of the group V elements that the relativistic Jahn-Teller couplings can be of the same order of magnitude as the familiar electrostatic Jahn-Teller couplings for the heavier elements." @default.
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- W2011651349 date "2010-04-05" @default.
- W2011651349 modified "2023-09-24" @default.
- W2011651349 title "Relativistic Jahn-Teller effect in tetrahedral systems" @default.
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- W2011651349 doi "https://doi.org/10.1103/physreva.81.042501" @default.
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