First-principles study of p-type transparent conductive oxides CuXO2 (X=Y, Sc, and Al)
文献类型：期刊论文
| 作者 | Shi, LJ ; Fang, ZJ ; Li, JB |
| 刊名 | journal of applied physics
 |
| 出版日期 | 2008 |
| 卷号 | 104期号:7页码:art. no. 073527 |
| 关键词 | AUGMENTED-WAVE METHOD DELAFOSSITE STRUCTURE ELECTRONIC-STRUCTURE V SEMICONDUCTORS THIN-FILMS II-VI CUSCO2 CUALO2 ENERGY CUYO2 |
| ISSN号 | 0021-8979 |
| 通讯作者 | shi, lj, chinese acad sci, inst semicond, state key lab superlattices & microstruct, pob 912, beijing 100083, peoples r china. 电子邮箱地址: jbli@semi.ac.cn |
| 中文摘要 | using first-principles methods we have calculated electronic structures, optical properties, and hole conductivities of cuxo2 (x=y, sc, and al). we show that the direct optical band gaps of cuyo2 and cusco2 are approximately equal to their fundamental band gaps and the conduction bands of them are localized. the direct optical band gaps of cuxo2 (x=y, sc, and al) are 3.3, 3.6, and 3.2 ev, respectively, which are consistent with experimental values of 3.5, 3.7, and 3.5 ev. we find that the hole mobility along long lattice c is higher than that along other directions through calculating effective masses of the three oxides. by analyzing band offset we find that cusco2 has the highest valence band maximum (vbm) among cuxo2 (x=y, sc, and al). in addition, the approximate transitivity of band offset suggests that cusco2 has a higher vbm than cugao2 and cuino2 [phys. rev. lett. 88, 066405 (2002)]. we conclude that cusco2 has a higher p-type doping ability in terms of the doping limit rule. (c) 2008 american institute of physics. [doi: 10.1063/1.2991157] |
| 学科主题 | 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | one-hundred talents plan of the chinese academy of sciences national natural science foundation of china j.l. gratefully acknowledges financial support from the one-hundred talents plan of the chinese academy of sciences. this work was supported by the national natural science foundation of china. |
| 语种 | 英语 |
| 公开日期 | 2010-03-08 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/6392]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | Shi, LJ,Fang, ZJ,Li, JB. First-principles study of p-type transparent conductive oxides CuXO2 (X=Y, Sc, and Al)[J]. journal of applied physics,2008,104(7):art. no. 073527. |
| APA | Shi, LJ,Fang, ZJ,&Li, JB.(2008).First-principles study of p-type transparent conductive oxides CuXO2 (X=Y, Sc, and Al).journal of applied physics,104(7),art. no. 073527. |
| MLA | Shi, LJ,et al."First-principles study of p-type transparent conductive oxides CuXO2 (X=Y, Sc, and Al)".journal of applied physics 104.7(2008):art. no. 073527. |
入库方式： OAI收割
来源：半导体研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。