A classical density functional theory is discussed to calculate density profiles of mobile ions in superionic conductors. In the latter, the mobile ion component is regarded as a charged fluid immersed in a periodic potential due to the host-lattice ions. We apply this theory to the family of systems α-AgI, β-Ag2S and β-Ag3SI. Results for the Ag+ density in these systems are compared with experiments and molecular dynamics calculations. © 1988 Elsevier Science Publishers B.V. (North-Holland Physics Publishing Division).
Billi, F., Roman, H., Dieterich, W. (1988). Theory of density profiles in α-AgI-type superionic compounds. SOLID STATE IONICS, 28-30(1), 58-62 [10.1016/S0167-2738(88)80007-9].
Theory of density profiles in α-AgI-type superionic compounds
Roman H. E.;
1988
Abstract
A classical density functional theory is discussed to calculate density profiles of mobile ions in superionic conductors. In the latter, the mobile ion component is regarded as a charged fluid immersed in a periodic potential due to the host-lattice ions. We apply this theory to the family of systems α-AgI, β-Ag2S and β-Ag3SI. Results for the Ag+ density in these systems are compared with experiments and molecular dynamics calculations. © 1988 Elsevier Science Publishers B.V. (North-Holland Physics Publishing Division).
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