Significant Roles of Intrinsic Point Defects in Mg2X (X = Si, Ge, Sn) Thermoelectric Materials
文献类型：期刊论文
| 作者 | Liu, Xiaohua1; Xi, Lili2; Qiu, Wujie2; Yang, Jiong3; Zhu, Tiejun1; Zhao, Xinbing1; Zhang, Wenqing2,3 |
| 刊名 | ADVANCED ELECTRONIC MATERIALS
 |
| 出版日期 | 2016-02-01 |
| 卷号 | 2期号:2 |
| 英文摘要 | Point defects play a decisive role in the physical properties of thermoelectric materials and have been adopted as a new strategy to enhance thermoelectric properties. Here, the kinds of defects formed in Mg2X (X = Si, Ge, Sn) compounds are discussed and their influence mechanism on the thermoelectric performance by first-principles calculation is understood. Mg vacancies and interstitial Mg are found to be the dominant defects and their competition directly determines the different intrinsic conduction of Mg2X. Mg2Si always shows n-type, no matter what the Mg chemical potential is, while the conduction of Mg2Ge and Mg2Sn can change from p-type to n-type with increasing Mg chemical potential (Mg-rich condition). Interestingly it is also found that interstitial Mg shares electrons with lattice Mg, changes the charge density distribution, and produces the impurity-like level below the conduction band minimum. These results are helpful for understanding the roles of point defects in Mg2X and other thermoelectric compounds. |
| WOS标题词 | Science & Technology ; Technology ; Physical Sciences |
| 类目[WOS] | Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| 研究领域[WOS] | Science & Technology - Other Topics ; Materials Science ; Physics |
| 关键词[WOS] | MAGNESIUM SILICIDE ; 1ST-PRINCIPLES CALCULATIONS ; SEMICONDUCTING PROPERTIES ; THERMAL-CONDUCTIVITY ; SINGLE CRYSTALS ; SOLID-SOLUTIONS ; PERFORMANCE ; STABILITY ; DENSITY ; ALLOYS |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000370335200011 |
| 源URL | [http://ir.sic.ac.cn/handle/331005/23196]  |
| 专题 | 上海硅酸盐研究所_高性能陶瓷和超微结构国家重点实验室_期刊论文 |
| 作者单位 | 1.Zhejiang Univ, State Key Lab Silicon Mat, Sch Mat Sci & Engn, Hangzhou 310027, Zhejiang, Peoples R China 2.Chinese Acad Sci, State Key Lab High Performance Ceram & Superfi Mi, Shanghai Inst Ceram, Shanghai 200050, Peoples R China 3.Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Xiaohua,Xi, Lili,Qiu, Wujie,et al. Significant Roles of Intrinsic Point Defects in Mg2X (X = Si, Ge, Sn) Thermoelectric Materials[J]. ADVANCED ELECTRONIC MATERIALS,2016,2(2). |
| APA | Liu, Xiaohua.,Xi, Lili.,Qiu, Wujie.,Yang, Jiong.,Zhu, Tiejun.,...&Zhang, Wenqing.(2016).Significant Roles of Intrinsic Point Defects in Mg2X (X = Si, Ge, Sn) Thermoelectric Materials.ADVANCED ELECTRONIC MATERIALS,2(2). |
| MLA | Liu, Xiaohua,et al."Significant Roles of Intrinsic Point Defects in Mg2X (X = Si, Ge, Sn) Thermoelectric Materials".ADVANCED ELECTRONIC MATERIALS 2.2(2016). |
入库方式： OAI收割
来源：上海硅酸盐研究所
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