Electronic Structure and Doping of P-Type Transparent Conducting Oxides.

Wei, S. H. ; Nie, X. ; Zhang, S. B.

Technical Information Center Oak Ridge Tennessee

关键词: Electronic structure;    Solar cells;    Optoelectronic devices;    OOptical properties;    Oxides;   

RP-ID  :  DE200415007051

学科分类：工程和技术（综合）

美国|英语

来源: National Technical Reports Library

【 摘 要 】

Transparent conducting oxides (TCOs) are a group of materials that are widely used in solar cells and other optoelectronic devices. Recently, Cu-containing p-type TCOs such as MII Cu2 O2 (MIII=Mg, Ca, Sr, Ba) and CuMIII O2 (MIII=Al, Ga, In) have been proposed. Using first-principles band structure methods, we have systematically studied the electronic and optical properties of these p-type transparent oxides. For MII Cu2 O2 , we predict that adding a small amount of Ca into Sr Cu2 O2 can increase the transparency and conductivity. For CuMIII O2, we explained the doping and band gap anomalies in this system and proposed a new approach to search for bipolar dopable wide-gap materials.