Electronegativity calculation of bulk modulus and band gap of ternary ZnO-based alloys
文献类型：期刊论文
| 作者 | Li KY ; Kang CY ; Xue DF |
| 刊名 | materials research bulletin
 |
| 出版日期 | 2012 |
| 卷号 | 47期号:10页码:2902-2905 |
| 关键词 | BEXZN1-XO ALLOYS SEMICONDUCTORS CRYSTALS STATE FILMS MGO |
| ISSN号 | 0025-5408 |
| 通讯作者 | xue df |
| 中文摘要 | in this work, the bulk moduli and band gaps of mxzn1-xo (m = be, mg, ca, cd) alloys in the whole composition range were quantitatively calculated by using the electronegativity-related models for bulk modulus and band gap, respectively. we found that the change trends of bulk modulus and band gap with an increase of m concentration x are same for bexzn1-xo and cdxzn1-xo, while the change trends are reverse for mgxzn1-xo and caxzn1-xo. it was revealed that the bulk modulus is related to the valence electron density of atoms whereas the band gap is strongly influenced by the detailed chemical bonding behaviors of constituent atoms. the current work provides us a useful guide to compositionally design advanced alloy materials with both good mechanical and optoelectronic properties. (c) 2012 elsevier ltd. all rights reserved. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000309801800050 |
| 公开日期 | 2013-04-22 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/47909]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Li KY,Kang CY,Xue DF. Electronegativity calculation of bulk modulus and band gap of ternary ZnO-based alloys[J]. materials research bulletin,2012,47(10):2902-2905. |
| APA | Li KY,Kang CY,&Xue DF.(2012).Electronegativity calculation of bulk modulus and band gap of ternary ZnO-based alloys.materials research bulletin,47(10),2902-2905. |
| MLA | Li KY,et al."Electronegativity calculation of bulk modulus and band gap of ternary ZnO-based alloys".materials research bulletin 47.10(2012):2902-2905. |
入库方式： OAI收割
来源：长春应用化学研究所
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