We consider the distribution of Madelung potentials (MP) in liquid monovalent binary alloys CxA1-x exhibiting a significant degree of charge transfer, with particular attention to the CsxAu1-x system. For canonical models of ionic liquids, and within the framework of linear theories such as the mean spherical approximation, the MP probability distributions are shown to be Gaussian and are studied in some detail. Fluctuations in the effective electronic site energies, arising from disorder in the distribution of site MPs, are shown to occur on the eV scale. We consider the consequences for electronic properties of this coulombic disorder, and its interplay with the effects of on-site electron correlations, with particular emphasis on the C-rich composition domain close to stoichiometry.
DISORDERED MADELUNG POTENTIALS AND THE ELECTRONIC-STRUCTURE OF IONIC LIQUID ALLOYS, WITH APPLICATION TO CS-Y[CSAU]1-Y
SIRINGO, Fabio
1992-01-01
Abstract
We consider the distribution of Madelung potentials (MP) in liquid monovalent binary alloys CxA1-x exhibiting a significant degree of charge transfer, with particular attention to the CsxAu1-x system. For canonical models of ionic liquids, and within the framework of linear theories such as the mean spherical approximation, the MP probability distributions are shown to be Gaussian and are studied in some detail. Fluctuations in the effective electronic site energies, arising from disorder in the distribution of site MPs, are shown to occur on the eV scale. We consider the consequences for electronic properties of this coulombic disorder, and its interplay with the effects of on-site electron correlations, with particular emphasis on the C-rich composition domain close to stoichiometry.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
