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Keywords: First-principles
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Journal Articles
A DFT+U study of structural, electronic and optical properties of Ag- and Cu-doped ZnO
Available to PurchaseN. Hamzah, M.H. Samat, N.A. Johari, A.F.A. Faizal, O.H. Hassan, A.M.M. Ali, R. Zakaria, N.H. Hussin, M.Z.A. Yahya, M.F.M. Taib
Journal:
Microelectronics International
Microelectronics International (2023) 40 (1): 53–62.
Published: 03 November 2022
... elements from silver (Ag) and copper (Cu) by a first-principles study based on density functional theory (DFT) as implemented in the pseudo-potential plane wave in CASTEP computer code. Design/methodology/approach The calculations based on the generalized gradient approximation for Perdew-Burke...
