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@PHDTHESIS{Shahed:1027489,
      author       = {Shahed, Hend},
      title        = {{E}lucidation of {B}arocaloric {E}ffect in {I}-4{S}pin
                      {C}rossover {C}ompounds},
      volume       = {630},
      school       = {RWTH Aachen University},
      type         = {Dissertation},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {FZJ-2024-03898},
      isbn         = {978-3-95806-758-5},
      series       = {Schriften des Forschungszentrums Jülich Reihe Energie $\&$
                      Umwelt / Energy $\&$ Environment},
      pages        = {x, 261},
      year         = {2024},
      note         = {Dissertation, RWTH Aachen University, 2024},
      abstract     = {The search for new materials for energy-efficient and
                      environmentally friendly refrigerant technologies is a key
                      challenge to replace conventional vapor compression
                      technology. An attractive alternative approach uses the
                      barocaloric refrigeration cycle, which is based on the
                      adiabatic temperature and isothermal entropy change of a
                      material upon tuning an external hydrostatic pressure.
                      Recently, spin crossover (SCO) compounds have been pointed
                      out as promising candidates, which exhibit large barocaloric
                      effects: large isothermal entropy changes have been reported
                      for some of these SCO compounds at fairly low hydrostatic
                      pressures (< 1.2 GPa). In SCO complexes, the central metal
                      ion switches between a low spin (LS) state at low
                      temperature / high pressure and a high spin (HS) state at
                      high temperature/low pressure. The LS to HS transition
                      involves an increase of the spin entropy, but the larger
                      part of the entropy change originates from changes in the
                      intramolecular vibrations. The fundamental understanding of
                      the nature of HS-LS transition and its effect on the
                      physical properties is still being explored fervently, and
                      in particular, the microscopic knowledge of the transition
                      mechanism is essential to tailor new materials. Although the
                      spin crossover is by essence a molecular scale phenomenon,
                      the large diversity in the spin transition characteristics
                      makes it challenging to predict. The spin transition is
                      controlled by cooperativity, which is a parameter that
                      describes to what extent the spin transition occurs
                      collectively across the material rather than in isolated
                      molecules. The exploration of the intricate interplay
                      between cooperativity and structural changes in the SCO
                      material is in the focus of this thesis. The compound
                      Fe(Pm-Bia)2(NCS)2, where Pm-Bia =
                      (N-(21-pyridylmethylene)-4-amino-bi-phenyl), is an ideal
                      candidate for these studies, as it exists in two different
                      polymorphs which exhibit SCO transitions with significantly
                      different characteristics.},
      cin          = {JCNS-2 / JARA-FIT},
      cid          = {I:(DE-Juel1)JCNS-2-20110106 / $I:(DE-82)080009_20140620$},
      pnm          = {899 - ohne Topic (POF4-899)},
      pid          = {G:(DE-HGF)POF4-899},
      typ          = {PUB:(DE-HGF)3 / PUB:(DE-HGF)11},
      doi          = {10.34734/FZJ-2024-03898},
      url          = {https://juser.fz-juelich.de/record/1027489},
}