The properties of electrons in sodalite saturated with alkali atoms

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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 periodic system. We find that in the one-electron approximation, the system is a narrow band metal. It is very likely that the electron–electron interactions will transform it into a Mott insulator which is antiferromagnetic at low temperature. Particular attention is paid to understanding how the interactions between the electrons and the zeolite frame affect the electronic properties. Since the properties of the framework can be modified chemically, this understanding can help us determine how to use such modifications to our advantage.