Modeling of nonlinear optic and ESR response of CDW MX Materials

A. Saxena*, Z. Shuai, J. T. Gammel, I. Batistić, M. Alouani, J. L. Brédas, A. R. Bishop

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)1659-1662
Number of pages4
JournalSynthetic Metals
Issue number1-3
StatePublished - Apr 1 1995
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry


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