通过KxKCL(1−x)混合物的浓度和电荷波动分析电子和离子相互作用

L. Hily, J. Dupuy-Philon, J. Jal, P. Chieux
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引用次数: 0

摘要

在KxKCL(l-x)溶液的富金属域测量的部分结构因子(PSF)作为组成函数的短期、中期和长期行为的更深入了解表明,结构变化的特征是纯金属液体中普遍存在的筛选特性的非线性扰动。描述阴离子传导电子相互作用的赝势理论和微扰计算必须放弃。在k = 0时,PSF的长波长极限与热力学之间的关系尤其难以解开。在中子衍射中观察到的结构变化表明,更好地理解这些关系在于处理电荷波动和原子浓度波动之间的关系。
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Electronic and Ionic Interactions Analyzed through Concentration and Charge Fluctuations in KxKCL(1−x) Mixtures
A deeper insight into short, medium and long ranges behaviour of partial structure factors (PSF) measured in the rich metal domain of KxKCL(l-x) solutions as a function of composition shows up that structural changes are characterised by a non-linear perturbation of the screening properties prevailing in the pure metal liquid. Pseudopotential theory for describing the anion-conduction electron interaction, and perturbation calculations must be dropped. The correlation between long wavelength limits of PSF and thermodynamic is particularly difficult to unravel at k = 0. The structural changes observed in neutron diffraction indicate that a better understanding of these correlations consists in treating the correlation between charge fluctuations and atomic concentration fluctuations.
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