Generation of ground state structures and electronic properties of ternary Al${}_x$Ti${}_y$Ni${}_z$ clusters (x+y+z=6) with a two-stage DFT global search approach

Pin Wai Koh, Tiem Leong Yoon, Thong Leng Lim +2

The structural and electronic properties of ternary AlxTiyNiz clusters, where x, y, and z are integers and x + y + z = 6 are investigated. Both SVWN and B3LYP exchange-correlation…