Large Pairing Jahn-Teller Distortions Around Divacancies in Crystalline Silicon

Charge state dependent Jahn-Teller distortions of the e-center defect in crystalline Si.

The atomic and electronic structures of a lattice vacancy trapped next to an As impurity (the E-center defect) in crystalline Si are investigated using ab initio pseudopotential total energy calculations. Jahn-Teller distortions and energies, reorientation barriers, defect wave function characters, and hyperfine coupling parameters associated with (-) and (0) charge states of the E center are c...

Evidence of dynamic Jahn-Teller distortions in two-dimensional crystalline molecular films

The Jahn-teller Instability with Accidental Degeneracy

The Jahn-Teller theorem predicts that orbitally degenerate complexes in solids can lower their energy by a distortion which lowers their symmetry. Exact degeneracy is not necessary for this instability; usually it suffices if the actual separation of the energy levels involved is less than the energy reduction which would result if they were exactly degenerate. We discuss various cases of accid...

A Computational Study to Find the Vibrational Modes Connected with Specific Molecular Structures of Calculated Compound

The purpose of this research is to provide a deeper understanding of the planar high- symmetry configuration instability. In the ideal case, the distortion corresponds to the movements of nuclei along normal modes that belong to non-totally symmetric irreps of the high symmertry (HS) point group of molecule. The analysis of the structural distortion from the HS nuclear arrangements of the JT ac...

Finite-wavevector Jahn-teller-pairing and Superconductivity in the Cuprates. Typeset Using Revt E X 1

A model interaction is proposed in which pairing is caused by a non-local Jahn-Teller (JT)-like instability due to the coupling between planar O states and k = 0 phonons. Apart from pairing, the interaction is found to naturally allow metallic stripe formation. The consequences of the model for supercon-ductivity in the cuprates are discussed. The model is shown to be consistent with numerous s...