Energy and temperature dependence of rigid unit modes in AlPO₄-5.

@article{Berlie2015EnergyAT,
  title={Energy and temperature dependence of rigid unit modes in AlPO₄-5.},
  author={Adam Berlie and Gordon J. Kearley and Yun Liu and Dehong Yu and Richard A Mole and Chris D Ling and Ray Withers},
  journal={Physical chemistry chemical physics : PCCP},
  year={2015},
  volume={17 33},
  pages={
          21547-54
        }
}
For structures that can be treated as networks of rigid, corner-connected polyhedra, the dominant distortion modes can be described by so-called rigid unit modes that are close to zero frequency. This type of behaviour is common in zeolitic/zeotypic materials such as the AlPO4 family of compounds and has been suggested by some authors to play a significant role in molecular diffusion within the pores of such compounds. We explore the energy and temperature dependence of these modes in AlPO4-5… CONTINUE READING
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