Abstract
The alloying effects on the electronic structure of MoSi 2 were investigated using the DV-X α molecular orbital method. It was found that there were strong covalent SiSi and MoSi bonds in MoSi 2. The nature of the chemical bonds between atoms was modified by alloying. Two alloying parameters, the bond order Bo and the d-orbital energy level Md, were determined for various alloying elements in order to estimate the alloying behavior of MoSi 2. The solid solubilities of alloying elements in MoSi 2 could be described in terms of these two parameters. A new crystal structure map of transition metal disilicides was also made by using the Bo and the Md parameters. This map was proved to be useful in examining any possibilities of the structural modification of disilicides by alloying.
Published Version
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