THE PROPERTIES OF ELECTRONS IN SODALITE SATURATED WITH ALKALI ATOMS

Citation
A. Monnier et al., THE PROPERTIES OF ELECTRONS IN SODALITE SATURATED WITH ALKALI ATOMS, The Journal of chemical physics, 100(9), 1994, pp. 6944-6952
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
100
Issue
9
Year of publication
1994
Pages
6944 - 6952
Database
ISI
SICI code
0021-9606(1994)100:9<6944:TPOEIS>2.0.ZU;2-U
Abstract
We study the properties of the electrons produced by absorbing sodium atoms into a zeolite which we call dry sodalite. Upon absorption, the sodium atom is ionized and the electron is shared with the other ions present in the sodalite cage. When the dry sodalite is saturated with sodium, each cage has one such electron and the system is periodic. We develop a simple model for the electron interaction with the zeolite framework and calculate the energy bands of the electrons in this peri odic system. We find that in the one-electron approximation, the syste m is a narrow band metal. It is very likely that the electron-electron interactions will transform it into a Mott insulator which is antifer romagnetic at low temperature. Particular attention is paid to underst anding how the interactions between the electrons and the zeolite fram e affect the electronic properties. Since the properties of the framew ork can be modified chemically, this understanding can help us determi ne how to use such modifications to our advantage.