Daniel Franta, David Nečas, Lenka Zajíčková
Application of Thomas–Reiche–Kuhn sum rule to construction of advanced dispersion models
Thin Solid Films 534 (2013) 432441
The classical fsum rule is generalized using quantum mechanical Thomas–Reiche–Kuhn sum rule to include nucleonic contribution, i.e. lattice vibrations. The sum rule is formulated for the transition strength function defined as a continuous condensedmatter equivalent of the oscillator strength known for discrete transitions in atomic spectra. The application of such formulated sum rule allows construction of dispersion models containing a fitting parameter directly related to the atomic density of material. The dielectric response expressed using the transition strength function is split into individual contributions such as direct and indirect electronic interband transitions including excitonic effect, excitations of electrons to the highenergy states existing above the conduction band, coreelectron excitations and phonon absorption. The presented models reflect understanding of structure of disordered and crystalline materials on the basis of quantum theory of solids. The usual term ‘joint density of states’, that should be used only for electronic transitions in the oneelectron approximation, is replaced by the more general term ‘transition density’.
DOI: 10.1016/j.tsf.2013.01.081
You can also contact one of the authors: franta@physics.muni.cz, yeti@physics.muni.cz, lenkaz@physics.muni.cz
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