Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag,Cu-Au and Ag-Au Intermetallic Compounds

Department of Physics, Xiamen University, Xiamen 361005¹Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083 (present address)

Published Date: December 31, 1994

Abstract

The lattice inversion method is used to construct ab initio pair potentials in the noble-metal alloy systems Cu-Ag, Cu-Au and Ag-Au from the elemental crystals and a L1₂ binary superstructure as references. Also, we present an alternative method for the determination of the three-dimensional Möbius functions by using the Kronecker expansion.