Ab initio study of Sb2SexTe3−x (x=0, 1, 2) phase change materials

By means of ab initio total energy calculations, we have investigated the structure and properties of Sb2SexTe3−x (x = 0, 1, 2) alloys, a family of phase change materials for data storage. On the basis of analyzing the chemical bonding and electronic properties of Sb2SexTe3−x (x = 1, 2) and Sb2Te3 alloys, we have shown that the crystalline-to-amorphous transition of Sb2Se2Te may be faster than that of Sb2Te3. Furthermore, the substitution of Te by Se in Sb2Te3 can increases the electric resistance of Sb2SexTe3−x (x = 1, 2) alloys and hence may lower the reset power consumption.

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