Abstract
The vibrational (Raman) and optical properties associated with the ground state and polaronic defects are compared and contrasted for the charge-density-wave PtX materials belonging to two different regimes: the highly valence localized compound PtCl and the more valence delocalized compound PtBr. The model for PtCl explicitly includes nearest-neighbor Coulomb attraction and metal ion-ion electrostatic repulsion: with increasing valence delocalization this reduces to the linear Peierls-Hubbard model used for PtBr. The results agree well with the available experimental data for PtCl and PtBr. Buckling of Cl atoms out of the chain axis is found to be important in order to obtain the observed Raman frequencies for electron polarons and bipolarons in PtCl
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
