Influence of Zn doping on the early activation stage of GaAlAs photocathodes: A density functional theory research

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• 作者：Xiaohua Yu^a ; ^{whtbuyxh@163.com" class="auth_mail" title="E-mail the corresponding author} ; Minghua Deng^a ; Honggang Wang^b ; Meishan Wang^b
• 关键词：Negative electron affinity ; Zn doping ; Cs adsorption ; Work function
• 刊名：Optik - International Journal for Light and Electron Optics
• 出版年：2016
• 出版时间：March 2016
• 年：2016
• 卷：127
• 期：5
• 页码：3065-3068
• 全文大小：1273 K

文摘

Using plane-wave ultrasoft pseudopotential method based on density functional theory (DFT), the influence of Zn atoms on Cs activation process of NEA GaAlAs photocathodes is researched. The Zn-induced E-Mulliken population and ionicity change are analyzed, the influence of Zn on average dipole moment and work function are researched and the density of state and band structure of Cs adsorbed Ga_0.5Al_0.5As (0 0 1)β₂ (2 × 4) reconstruction surface before and after Zn doping are compared. Results show that Zn doped Ga_0.5Al_0.5As (0 0 1)β₂ (2 × 4) reconstruction surface shows Negative Electron Affinity (NEA) state when Cs coverage is 0.75 mL.