Coulomb effects in disordered solids

M. F. Thorpe, S. W. De Leeuw

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Abstract

We develop a general theory to calculate the vibrational response functions for disordered solids (such as glasses and disordered crystalline alloys) in the presence of long-range Coulomb forces. The longitudinal l() and transverse t() dielectric functions are shown to be related by l()/=2-/t(), where is the high-frequency electronic response. The Lyddane-Sachs-Teller relation is generalized for use in such systems. We derive sum rules involving moments that should be useful in interpreting experimental data. A general formulation is also set up for the density of states (2) and the neutron scattering law S(k,). These general results are illustrated by calculating these response functions for a model AX2 glass that roughly corresponds to vitreous silica. A periodic random network with 1536 ions in each supercell is constructed. The response functions are found using the equation-of-motion method with the Coulomb sums included explicitly using the Ewald method. The (bare) transverse response shows a rather broad optic peak whereas the longitudinal response (which is sensitive to the depolarizing field) has a sharper response at a higher frequency.

Original languageEnglish (US)
Pages (from-to)8490-8505
Number of pages16
JournalPhysical Review B
Volume33
Issue number12
DOIs
StatePublished - Jan 1 1986

ASJC Scopus subject areas

  • Condensed Matter Physics

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    Thorpe, M. F., & De Leeuw, S. W. (1986). Coulomb effects in disordered solids. Physical Review B, 33(12), 8490-8505. https://doi.org/10.1103/PhysRevB.33.8490