title: Diffuse scattering in metallic tin polymorphs.
abstract: The lattice dynamics of the metallic tin β and γ 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 β-tin structure results in unusual asymmetry of thermal diffuse scattering. Strong resemblance of the diffuse scattering intensity distribution in β and γ-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 the density functional perturbation theory for both β- and γ-tin at arbitrary momentum transfers. The combined approach delivers thus a complete picture of the lattice dynamics in harmonic description.
authors.affiliation: European Synchrotron Radiation Facility, BP 220 F-38043 Grenoble Cedex 9, France.
authors.forename: Björn
authors.initials: B
authors.lastname: Wehinger
authors.forename: Alexeï
authors.initials: A
authors.lastname: Bosak
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Piccolboni
authors.forename: Keith
authors.initials: K
authors.lastname: Refson
authors.forename: Dmitry
authors.initials: D
authors.lastname: Chernyshov
authors.forename: Alexandre
authors.initials: A
authors.lastname: Ivanov
authors.forename: Alexander
authors.initials: A
authors.lastname: Rumiantsev
authors.forename: Michael
authors.initials: M
authors.lastname: Krisch
mesh_terms: D004583:Electrons; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D060739:Phonons; D014001:Tin / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D014001:Tin