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cond-mat.mtrl-sci2015★ 53 cited
Surface energy calculations from Zinc blende (111)/(-1-1-1) to Wurtzite (0001)/(000-1):a study of ZnO and GaN
Jingzhao Zhang, Yiou Zhang, Kinfai Tse +3
The accurate absolute surface energies of (0001)/(000-1) surfaces of wurtzite structures are crucial in determining the thin film growth mode of important energy materials. However…
cond-mat.mtrl-sci2015★ 34 cited
Pseudo-Hydrogen Passivation_A Novel Way to Calculate Absolute Surface Energy of Zinc Blende (111) Surface
Yiou Zhang, Jingzhao Zhang, Kinfai Tse +3
Determining accurate absolute surface energies for polar surfaces of semiconductors has been a great challenge in decades. Here, we propose pseudo-hydrogen passivation to calculate…