Absence of diagonal force constants in cubic Coulomb crystals

  title={Absence of diagonal force constants in cubic Coulomb crystals},
  author={B. Andrews and G. Conduit},
  journal={Proceedings. Mathematical, Physical, and Engineering Sciences},
  • B. Andrews, G. Conduit
  • Published 2020
  • Physics, Materials Science, Medicine
  • Proceedings. Mathematical, Physical, and Engineering Sciences
The quasi-harmonic model proposes that a crystal can be modelled as atoms connected by springs. We demonstrate how this viewpoint can be misleading: a simple application of Gauss’s law shows that the ion–ion potential for a cubic Coulomb system can have no diagonal harmonic contribution and so cannot necessarily be modelled by springs. We investigate the repercussions of this observation by examining three illustrative regimes: the bare ionic, density tight-binding and density nearly-free… Expand

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