Ionic overlayers on corrugated Surfaces I: Structure

Cagin-T, Sen-S, Seong-H, and Mahanti, SD
Materials Theory and Modeling, 291, 233-237 (1993)


Structural and dynamic properties of a large class of intercalation compounds can be modeled by a collection of ions intercalating via a screened coulomb potential produced by the host atoms. In this paper we discuss the results of Molecular Dynamics simulation studies of the ground state structure of RbC24 and related systems focusing primarily on the micro-structure, i.e. on the nature of the domains and domain walls.