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26 April 2024 |
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Diffuse scattering in metallic tin polymorphs | | Björn Wehinger
; Alexeï Bosak
; Giuseppe Piccolboni
; Dmitry Chernyshov
; Keith Refson
; Alexandre Ivanov
; Alexander Rumiantsev
; Michael Krisch
; | | Date: |
11 Oct 2013 | | Abstract: | The lattice dynamics of the metallic tin {eta} and {gamma} polymorphs has
been studied by a combination of diffuse scattering, inelastic x-ray scattering
and density functional perturbation theory. The non-symmorphic space group of
the {eta}-tin structure results in unusual asymmetry of thermal diffuse
scattering. Strong resemblance of the diffuse scattering intensity distribution
in {eta} and {gamma}-tin were observed, reflecting the structural
relationship between the two phases and revealing the qualitative similarity of
the underlying electronic potential. The strong influence of the electron
subsystem on inter-ionic interactions creates anomalies in the phonon
dispersion relations. All observed features are described in great detail by
density functional perturbation theory for both {eta}- and {gamma}-tin at
arbitrary momentum transfers. The combined approach delivers thus a complete
picture of the lattice dynamics in harmonic description. | | Source: | arXiv, 1310.3080 | | Services: | Forum | Review | PDF | Favorites | |
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