%0 Journal Article %T Optical properties of N-doped Cu2O films and relevant analysis with first-principles calculations
N掺杂Cu2O薄膜的光学性质及第一性原理分析 %A Pu Chun-Ying %A Li Hong-Jing %A Tang Xin %A Zhang Qing-Yu %A
濮春英 %A 李洪婧 %A 唐鑫 %A 张庆瑜 %J 物理学报 %D 2012 %I %X N-doped Cu2O films are deposited at different temperatures by sputtering a CuO target in the mixture of Ar and N2. By the analysis of transmission spectra, it is found that the N-doped Cu2O films are changed into a direct allowed band-gap semiconductor and the optical band gap energy is enlarged to 2.52±0.03 eV for the films deposited at different temperatures. The first-principles calculations indicate that the energy band gap increase by 25%, which is in good agreement with the experimental result. The change from a direct forbidden band-gap transition to a direct allowed band-gap transition can be attributed to the occupation of 2p electrons of N at the top of valence band in the N-doped Cu2O film. %K Cu2O:N %K band gap %K density of states
Cu2O:N %K 禁带宽度 %K 电子态密度 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=2C2DE33E892A88209046516CD1094FF7&yid=99E9153A83D4CB11&vid=1D0FA33DA02ABACD&iid=E158A972A605785F&sid=BEDA15F1CB5A6BF3&eid=BEDA15F1CB5A6BF3&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=20