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@ARTICLE{Dutt:642077,
      author       = {Dutt, Shankar and Rambadey, Omkar V. and Pokhriyal, Preeti
                      and Sagdeo, Pankaj R. and Sagdeo, Archna},
      title        = {{A} {C}omprehensive {S}tudy on the {V}ibrational {S}pectra
                      of {M}ixed-{H}alide {P}erovskites,
                      {MAP}b({B}r$_{1–x}${C}l$_ x$)$_3$},
      journal      = {The journal of physical chemistry / C},
      volume       = {129},
      number       = {23},
      issn         = {1932-7447},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {PUBDB-2025-05339},
      pages        = {10560 - 10571},
      year         = {2025},
      note         = {Waiting for fulltext},
      abstract     = {Hybrid perovskites have shown immense potential for various
                      energy-harvesting applications. There is great interest in
                      the device applications of these systems, both in their pure
                      as well as in derivative halide perovskite forms. At the
                      same time, it becomes both crucial and important to study
                      their local interactions, which further define their thermal
                      and electrical properties, where lattice vibrations play a
                      key role. The vibrational characteristics of atoms or
                      molecules in a given configuration are significantly
                      influenced by the nature of their bonding, which is
                      determined by differences in atomic mass and ionic radii.
                      Therefore, substituting halide anions offers a promising
                      opportunity to investigate the thermal evolution of
                      vibrational modes. Additionally, the interactions between
                      halide anions and organic cations through hydrogen bonding
                      are known to influence structural phase transitions. This
                      highlights the potential for studies involving halide
                      substitutions in these systems with the aim of tuning phase
                      transition temperatures. In this context, in the present
                      study, temperature-dependent Raman spectroscopy has been
                      performed on the mixed-halide perovskites
                      MAPb(Br$_{1–x}$Cl$_x$)$_3$ (x = 0 to 1) and critically
                      evaluated for the variation in local interactions for the
                      different vibrational modes. Distinct signatures of
                      structural phase transitions have been identified in the
                      temperature-dependent Raman spectra of the derivative
                      perovskites. A major finding of the work is that, along with
                      the pure end compositions, MAPbBr$_3$ and MAPbCl$_3$,
                      near-end compositions also showed features of structural
                      phase transitions. These structural phase transitions also
                      shift in temperature with halide tuning. Moreover, freezing
                      of the high-temperature cubic phase is observed for all
                      intermediate compositions, which is quite interesting.
                      Low-frequency Raman modes showed the most prominent changes
                      with halide substitution and temperature variation. Sharp
                      changes in Raman frequency and FWHM values, indicative of
                      structural phase transitions, were seen for some of the
                      dominant modes around the transition temperature.
                      Conclusively, we have critically studied the vibrational
                      spectra of the mixed-halide perovskites, which indicate a
                      strong dependence of mixed-halide compositions on structural
                      phase transition behavior. This is an important aspect for
                      tuning the structural phase transition temperature, which
                      affects the device applications of these systems. In
                      addition, our work provides descriptive insights into the
                      lattice dynamics of the mixed-halide perovskite systems,
                      contributing to the fundamental understanding of temperature
                      and compositional dependence of different vibrational
                      modes.},
      cin          = {FS-PET-D},
      ddc          = {530},
      cid          = {I:(DE-H253)FS-PET-D-20190712},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632)},
      pid          = {G:(DE-HGF)POF4-632},
      experiment   = {EXP:(DE-MLZ)External-20140101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1021/acs.jpcc.5c01334},
      url          = {https://bib-pubdb1.desy.de/record/642077},
}