E. Goh

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cond-mat.mtrl-sci2019

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…

cond-mat.mtrl-sci2017

Effects of Hubbard term correction on the structural parameters and electronic properties of wurtzite Zn

E. S. Goh, J. W. Mah, T. L. Yoon

The effects of including the Hubbard on-site Coulombic correction to the structural parameters and valence energy states of wurtzite ZnO was explored. Due to the changes in the str…

Generation of ground state structures and electronic properties of ternary Alx​Tiy​Niz​ clusters (x+y+z=6) with a two-stage DFT global search approach

Effects of Hubbard term correction on the structural parameters and electronic properties of wurtzite Zn

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