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cond-mat.mtrl-sci2018
Electronic and optical properties of Mn impurities in ultra-thin ZnO nanowires: insights from density-functional theory
A. L. Rosa, L. L. Tacca, E. N. Lima +1
In this work we have employed density-functional theory with hybrid functionals to investigate the atomic and electronic structure of bare and hydrogenated Mn doped ZnO nanowires w…
cond-mat.mtrl-sci2018
Hybrid density-functional theory calculations on surface effects in Co doped ZnO nanowires
A. L. Rosa, L. L. Tacca, Th. Frauenheim
In this work we have employed density-functional theory with hybrid functionals to investigate the atomic and electronic structure of bare and hydrogenated Co doped ZnO nanowires.…