Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag,Cu-Au and Ag-Au Intermetallic Compounds
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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.
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XIE Qian, XU Wei, HUANG Meichun. Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag,Cu-Au and Ag-Au Intermetallic Compounds[J]. Chin. Phys. Lett., 1995, 12(1): 12-15.
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XIE Qian, XU Wei, HUANG Meichun. Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag,Cu-Au and Ag-Au Intermetallic Compounds[J]. Chin. Phys. Lett., 1995, 12(1): 12-15.
|
XIE Qian, XU Wei, HUANG Meichun. Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag,Cu-Au and Ag-Au Intermetallic Compounds[J]. Chin. Phys. Lett., 1995, 12(1): 12-15.
|
XIE Qian, XU Wei, HUANG Meichun. Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag,Cu-Au and Ag-Au Intermetallic Compounds[J]. Chin. Phys. Lett., 1995, 12(1): 12-15.
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