Applying calculation method in alloy design should be an important tendency due to its characters of inexpensive cost, high efficiency and prediction. DOS calculations of AuSn, AsSn and SbSn Sn-based alloys have been investigated by employing DV-Xa method, in which different cluster models were adopted to calculate electron structure. It is proved that some regulations must be taken into account in order to carry out alloy design calculation successfully, which are described in this paper in detail.

Key words: Cluster model, Sn-based alloy design, DV-Xa calculation method,DOS