The ground state of acceptors in cubic semiconductors is fourfold degenerate (I?,) and the interaction with the lattice vibrations leads to the possibility of a Jahn-Teller effect [l]. The extended nature of the wave function of these defects [ 2 ] has two important consequences : (i) the interaction is mainly with long-wavelength acoustic phonons, (ii) because of the large elastic energy assoc...

We present insights into the electronic structure and relaxation of N-V color centers in diamond which support the contention that Jahn-Teller effects may play a very significant role in the excited E state. We also consider several opposing arguments, but show that the unusual relaxation behavior of the N-V center can mask common signatures of the Jahn-Teller effect, and that it remains a stro...

Compared to isolated C$_{60}^{3-}$ ions, characterized by a threedimensional equipotential trough at the bottom of lowest adiabatic potential energy surface (APES), Jahn-Teller (JT) effect in cubic fullerides is additionally influenced interaction JT distortions C$_{60}$ sites with vibrational modes lattice. This leads modification stabilization and warping each fullerene site, as well differen...

for an Invited Paper for the MAR07 Meeting of The American Physical Society Anti-Jahn-Teller effect and d-wave phonon mechanism in cuprates HIROSHI KAMIMURA, Tokyo University of Science Undoped cuprates are Jahn-Teller (JT) Materials [1] and Mott AF insulators [2]. When holes are doped, the octahedrons or pyramids elongated by the JT effect shrink. We call such distortion against the JT effect ...

This paper investigates the Jahn-Teller effect in the icosahedral cation B(80)(+) and compares the descent in symmetry with that in C(60)(+). For both cations the icosahedral ground state is a (2)H(u) state, which exhibits a H ⊗ (g ⊕ 2h) Jahn-Teller instability. A detailed construction of the potential energy surface of B(80)(+) using different DFT methods including B3LYP/6-31G(d), VWN/6-31G(d)...