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Exact, numerical, and mean field behavior of a dimerizing lattice in one dimension
Vasili Perebeinos, Philip B. Allen, James Napolitano
The thermodynamics and dynamics of a one dimensional dimer-forming anharmonic model is studied in the classical limit. This model mimics the behavior of materials with a Peierls in…
Multi-phonon Resonant Raman Scattering Predicted in LaMnO3 from the Franck-Condon Process via Self-Trapped Excitons
Vasili Perebeinos, Philip B. Allen
Resonant behavior of the Raman process is predicted when the laser frequency is close to the orbital excitation energy of LaMnO3 at 2 eV. The incident photon creates a vibrationall…
Franck-Condon-Broadened Angle-Resolved Photoemission Spectra Predicted in LaMnO3
Vasili Perebeinos, Philip B. Allen
The sudden photohole of least energy created in the photoemission process is a vibrationally excited state of a small polaron. Therefore the photoemission spectrum in LaMnO3 is pre…
First-principles calculations of the self-trapped exciton in crystalline NaCl
Vasili Perebeinos, Philip B. Allen, M. Weinert
The atomic and electronic structure of the lowest triplet state of the off-center (C2v symmetry) self-trapped exciton (STE) in crystalline NaCl is calculated using the local-spin-d…