Electronic Resource
[S.l.]
:
American Institute of Physics (AIP)
Journal of Applied Physics
84 (1998), S. 3671-3675
ISSN:
1089-7550
Source:
AIP Digital Archive
Topics:
Physics
Notes:
The electronic properties of potassium adsorbed sodium form zeolite Linde type A (LTA) were studied by using the first-principles tight-binding linear muffin-tin orbitals band method. Two adsorption systems were considered. For the two adsorption systems 6 or 22 potassium atoms were incorporated into the Na-formed zeolite LTA in which 18 sodium atoms are contained per unit cell. For the first adsorption system, which was a lowly doped system, a direct band gap about 2.3 eV was obtained. The calculated band gap is in good agreement with experimental absorption spectra. The charge densities of the system were distributed mainly around the walls of the zeolite framework. An obvious chemical shift (1.8 eV) between Na located at different sites in zeolitic cages was found. For the other adsorption system, which was a highly doped system, the Fermi level was found in the conduction bands and might lead to an insulator-metal transition. © 1998 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.368543
| Library |
Location |
Call Number |
Volume/Issue/Year |
Availability |
