“…In our calculations of the phonon dispersion relations for the BCC alkali metals Na and K, we use values of c(k) obtained directly from the measured values of the structure factor S(k) of the liquid near freezing, from x-ray diffraction experiments [22] taken L = 0.15, the primary data being those of Woods etaZ [25] on Na at 90 K and those of Cowley et al [26] and of Dolling and Meyer [27] on K a t 9 K and below. It is worth pointing out that a recent calculation of the liquid-solid transition of the alkali metals within the Ramakishnan-Yussouff theory has found that the Gaussian approximation isquitegood (although the theory has problemsindealingwith the Debye-waller factor at the (ZOO) star) and has estimated L = 0.15 [28].…”
Section: Dispersion Curues and Elastic Constants Of Sodium And Potassiummentioning
The renormalized phonon frequencies of a monatomic classical crystal at melting arerelated tothedirectcorrelationfunctionsofitsliquidatfreezing by meansofafunctional expansion of the free energy of a suitably deformed crystal around the liquid phase. Expressions for lhe elastic ~~~t a n t ~ follow by the 'long-waves' method and are compared with earlier results obtained by the homogeneous deformation method. The role of threebody correlations in the functional expansion is discussed, but the illustrative calculations that we present include only the Omstein-Zernike two-body direct correlation function of the Liquid, weighted by a Debye-Waller factor. The Orstein-Zemike function can be obtained eitherdirecllyfrom the measured liquidstructure factoror by liquid structure theory in modelsystems. Ourcalculationsofphonondispersion relations and elasticconstantsrefer to the BCC metals sodium and potassium, to a Lennard-Jones model for FCC argon, and to lheclassicalone-componentplasmacrystallizedintheBccandFCCstructures. The theoretical resultsare compared with neutron inelasticscatteringandelasticconstantsdataonsodium, potassium and argon, as well as with computer simulation data on the crystallized plasma.
“…In our calculations of the phonon dispersion relations for the BCC alkali metals Na and K, we use values of c(k) obtained directly from the measured values of the structure factor S(k) of the liquid near freezing, from x-ray diffraction experiments [22] taken L = 0.15, the primary data being those of Woods etaZ [25] on Na at 90 K and those of Cowley et al [26] and of Dolling and Meyer [27] on K a t 9 K and below. It is worth pointing out that a recent calculation of the liquid-solid transition of the alkali metals within the Ramakishnan-Yussouff theory has found that the Gaussian approximation isquitegood (although the theory has problemsindealingwith the Debye-waller factor at the (ZOO) star) and has estimated L = 0.15 [28].…”
Section: Dispersion Curues and Elastic Constants Of Sodium And Potassiummentioning
The renormalized phonon frequencies of a monatomic classical crystal at melting arerelated tothedirectcorrelationfunctionsofitsliquidatfreezing by meansofafunctional expansion of the free energy of a suitably deformed crystal around the liquid phase. Expressions for lhe elastic ~~~t a n t ~ follow by the 'long-waves' method and are compared with earlier results obtained by the homogeneous deformation method. The role of threebody correlations in the functional expansion is discussed, but the illustrative calculations that we present include only the Omstein-Zernike two-body direct correlation function of the Liquid, weighted by a Debye-Waller factor. The Orstein-Zemike function can be obtained eitherdirecllyfrom the measured liquidstructure factoror by liquid structure theory in modelsystems. Ourcalculationsofphonondispersion relations and elasticconstantsrefer to the BCC metals sodium and potassium, to a Lennard-Jones model for FCC argon, and to lheclassicalone-componentplasmacrystallizedintheBccandFCCstructures. The theoretical resultsare compared with neutron inelasticscatteringandelasticconstantsdataonsodium, potassium and argon, as well as with computer simulation data on the crystallized plasma.
The problem of computing the lattice thermal conductivity and the phonon-drag contribution to the electrical resistivity in presence of normal phonon-phonon processes is examined in the framework of the Boltzmann-Callaway equation. A previous treatment for the lattice thermal conductivity of insulating crystals by Callaway arid Krumhansl is appropriately extended in order to treat the properties of interest. The so-obtained expressions for the lattice thermal conductivity and the phonon-drag contribution are presented. Some inconsistences of reccnt works on the same arguments are discussed in reference t o t h e results obtained.Das Problem, die Gitter-Warmeleitfahigkeit und den Beitrag des Phonon-Drag zu der elektrischen Leitfihigkeit in Gegenwart der normalen Phonon-Phonon-Prozesse zu berechnen, wird im R,ahmen der Boltzmann-Callaway-Gleichung untersucht. Eine friihere Entwicklnng von Callaway und Krumhansl fur die Gitter-Warmeleitfahiglreit der dielektrischen Kristalle wird richtig erweitert, um die spezifischen Eigenschaften zu behandeln. Die erlangten Ausdrucke fur die Gitter-Warmeleitfahigkeit und fur die Mitwirkung des Phonon-Drag werden vorgestellt. Einige Inkonsistenzen in kurzlich publizierten Werten werden diskutiert.
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