Articles written in Pramana – Journal of Physics
Volume 66 Issue 6 June 2006 pp 1057-1065
A study of the electronic structure of the three sulphides, SrS, BaS and PuS has been carried out in this work, using the powder X-ray intensity data from JCPDS powder diffraction data base. The statistical approach, MEM (maximum entropy method) is used for the analysis of the data for the electron density distribution in these materials and an attempt has been made to understand the bonding between the metal atom and the sulphur atom. The mid-bond electron density is found to be maximum for PuS among these three sulphides, being 0.584 e/Å
Volume 70 Issue 4 April 2008 pp 679-696 Research Articles
The local, average and electronic structure of the semiconducting materials Si and Ge has been studied using multipole, maximum entropy method (MEM) and pair distribution function (PDF) analyses, using X-ray powder data. The covalent nature of bonding and the interaction between the atoms are clearly revealed by the two-dimensional MEM maps plotted on (1 0 0) and (1 1 0) planes and one-dimensional density along [1 0 0], [1 1 0] and [1 1 1] directions. The mid-bond electron densities between the atoms are 0.554 e/Å3 and 0.187 e/Å3 for Si and Ge respectively. In this work, the local structural information has also been obtained by analyzing the atomic pair distribution function. An attempt has been made in the present work to utilize the X-ray powder data sets to refine the structure and electron density distribution using the currently available versatile methods, MEM, multipole analysis and determination of pair distribution function for these two systems.
Volume 94, 2020
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