Contact charge density of 107Ag+ In AgCl and AgF lattices

✍ Scribed by C. Bansal; K.N. Shrivastava

• Publisher: Elsevier Science
• Year: 1979
• Tongue: English
• Weight: 178 KB
• Volume: 64
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(79)80538-2

✦ Synopsis

The core and overlrtp contributions to the electronic charge density at the to'& nucleus in AsF and A&l lattices are calcuktted as a function of the Interatomic distance.

The overIap of the electronic wavefunctions of a Miissbauer nucleus with those of nearest neighbour atoms produce considerable changes in the charge density at the nuclear site [1,2] _ Using I-En-tree-Fock wavefunctions, we evahrate the core and overlap contributions to the charge density I&(O)]2 at the lo7Ag nucIear site in an octahedral arrangement of F-and G-ions. Including overlap effects, the electronic charge density at the nuclear site is [3] p(0) = W(O)i'= c fQns(0)i2 [1+g_& ,.x-1 ' (1) n