Modifying the band gap and optical properties of Germanium nanowires by surface termination

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• 作者：Merid Legesse^a ; ^b ; Giorgos Fagas^a ; Michael Nolan^a ; ^{michael.nolan@tyndall.ie}
• 关键词：Ge-nanowires ; Bandgap ; Surface termination ; DFT ; Adsoption
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：28 February 2017
• 年：2017
• 卷：396
• 期：Complete
• 页码：1155-1163
• 全文大小：3480 K
• 卷排序：396

文摘

We have shown for a given surface termination (–H, –NH2 or –OH) the band gap decreases for larger diameter nanowires. The DOS shows the presence of N 2p and O 2p states above the original VB edge is the origin of the band gap reduction of GeNWs. The nanowire diameter and surface termination shifts the absorption edge of GeNWs to longer wavelengths. The combination of nanowire diameter and surface chemistry can be effectively utilised to tune the band gaps.