Structure and dynamics of a silver-doped chalcogenide glass: An ab initio study
Source abstract
Abstract
Abstract A ternary glassy chalcogenide material, Ag20Ge28Se52, is analyzed for structural, electronic, vibrational, and ion dynamical properties. The structural analysis has revealed some interesting substructures, which are typically found only in Se-rich or Ge-rich materials. The radial distribution function of the Ag20Ge28Se52 model illustrates reasonably good agreement with experiment. The vibrational density of states (VDOS) is characterized, and the nature of the modes is revealed as a function of energy. Finally, the dynamics of Ag are explored by investigating diffusion and hopping characteristics of Ag, and the character of trapping centers.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Phase-change materials and chalcogenides · Glass properties and applications · Material Dynamics and Properties
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