Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag,
Cu-Au and Ag-Au Intermetallic Compounds
XIE Qian1, XU Wei, HUANG Meichun
Department of Physics, Xiamen University, Xiamen 361005
1Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083 (present address)
Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag,
Cu-Au and Ag-Au Intermetallic Compounds
XIE Qian1;XU Wei;HUANG Meichun
Department of Physics, Xiamen University, Xiamen 361005
1Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083 (present address)
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.
1995, Vol. 12 
