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Modeling of nonlinear optic and ESR response of CDW MX materials

We report results on the nonlinear optic and ESR response of the PtX MX chain materials calculated using a discrete, 3/4-filled, two-band, tight-binding Peierls-Hubbard model. We calculated electroabsorption (EA) spectra for the three PtX (X=Cl, Br, I) charge-density-wave (CDW) materials and find good agreement with the experimental data. We also obtain EA spectra for localized defects in PtBr. In addition, the field orientation dependence of the electron spin resonance spectra associated with the spin carrying defects is calculated for PtX materials and compared with ESR data on photoinduced defects.

CDW MX materials ; ESR response ; nonlinear optical response ; PtX MX chain ; electroabsorption spectra ; charge-density-wave materials ; localized defects ; spin carrying defects

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