Space-Time Correlation Functions in Quantal and Classical Binary Mixtures.II : Liquid Metals as Coupled Electron-Ion Systems
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The method developed previously for calculating the correlations in quantal binary mixtures in applied to liquid metals which are considered as mixtures of classical particles (ions) and quantal particles (electrons); as a result, the dynamic and static structure factors as well as the radial distribution functions of ions, ion-electrons and electrons and calculated on the basis of model potentials with the use of the parameters appropriate to Na. The ion-ion structure factor is similar to that of the Percus-Yevick hard-sphere model except that the first peak is shifted to the small wave-number side and distorted in an asymmetrical form. The ion-electron correlation is shown to be very small ; thus, the radial distribution function of electrons almost coincides with that calculated from the jellium model. It is important to introduce quantal direct correlation functions, in terms of which we can represent the compressibility of a liquid metal, including the Bohm-Staver term, and that of a fused salt in a unified manner ; and the effective direct correlation function of ions in the one-component model for liquid metal can also be defined by using these quantal direct correlation functions. The Friedel sum rule is extended to the case of the electron density distribution around a constituent ion in a liquid metal; hence, we can also show the distortion of the electron density distribution around each ion to be small. We may conclude that the ions in a simple liquid metal are moving around without disturbing the uniform density distribution of the electron gas, which behaves as if in the jellium model.
- 理論物理学刊行会の論文
- 1976-02-25
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