High pressure effect on electronic structure and thermoelectric properties of BiCuSeO: First-principles calculations
文献类型：期刊论文
| 作者 | Daifeng Zou; Yunya Liu; Shuhong Xie; Jianguo Lin; Hairong Zheng; Jiangyu Li |
| 刊名 | RSC ADVANCES
 |
| 出版日期 | 2014 |
| 英文摘要 | The effects of high pressure on the electronic structure and thermoelectric properties of BiCuSeO have been investigated by using first-principles calculations and the semi-classical Boltzmann transport theory. The electronic band gap increases with increasing pressure, and the band structure near the Fermi level of BiCuSeO is modified by applying hydrostatic pressure. It is found that the electrical conductivity of BiCuSeO can be enhanced under pressure, and such dependence can be explained by the pressure-induced change of the electronic structure of BiCuSeO. Furthermore, the doping dependence of power factors of n- and p-type BiCuSeO at three different pressures are estimated, suggesting that n-type doping of this compound would be more favorable for improving the thermoelectric properties under external pressure. |
| 收录类别 | SCI |
| 原文出处 | http://pubs.rsc.org/en/content/articlepdf/2014/ra/c4ra10073e |
| 语种 | 英语 |
| 源URL | [http://ir.siat.ac.cn:8080/handle/172644/5728]  |
| 专题 | 深圳先进技术研究院_医工所 |
| 作者单位 | RSC ADVANCES |
| 推荐引用方式 GB/T 7714 | Daifeng Zou,Yunya Liu,Shuhong Xie,et al. High pressure effect on electronic structure and thermoelectric properties of BiCuSeO: First-principles calculations[J]. RSC ADVANCES,2014. |
| APA | Daifeng Zou,Yunya Liu,Shuhong Xie,Jianguo Lin,Hairong Zheng,&Jiangyu Li.(2014).High pressure effect on electronic structure and thermoelectric properties of BiCuSeO: First-principles calculations.RSC ADVANCES. |
| MLA | Daifeng Zou,et al."High pressure effect on electronic structure and thermoelectric properties of BiCuSeO: First-principles calculations".RSC ADVANCES (2014). |
入库方式： OAI收割
来源：深圳先进技术研究院
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