Institutional Repository of Coll Mat Sci & Engn
Tunable band gap of diamond twin boundaries by strain engineering | |
Yan, Xuexi1,2; Jiang, Yixiao1,2; Yang, Bing1; Ma, Shangyi1; Yao, Tingting1,2; Tao, Ang1,2; Chen, Chunlin1,2; Ma, Xiuliang1,3; Ye, Hengqiang2 | |
2022-11-05 | |
发表期刊 | Carbon |
ISSN | 0008-6223 |
卷号 | 200页码:483-490 |
摘要 | Diamond thin films are promising wide band gap semiconductor materials for applications in electronic and microwave devices. Revealing the mechanism of how twin boundaries impact the band gap of diamond is of critical importance since they are the most common defects in polycrystalline diamond films. Here, nanocrystalline diamond films are synthesized by microwave plasma-enhanced chemical vapor deposition. The atomic and electronic structures of diamond lamellar and fivefold twins, and their evolution behaviors with the increase of axial tensile strain, are investigated by combining aberration-corrected transmission electron microscopy with first-principles calculations. There is no intrinsic stress concentration at the lamellar twin boundary, and its band gap equals to that of the bulk diamond (i.e., 5.3 eV). An intrinsic in-plane compressive stress field is formed and the band gap is increased evidently (i.e., 0.6 eV) in the center of fivefold twins. When applying an axial tensile strain up to 15%, the band gaps of the bulk diamond, lamellar and fivefold twins reduce significantly to 2.2 eV, 2.1 eV and 2.4 eV, respectively, which are mainly due to the decrease of pz orbital energy caused by the increase of axial bond length during the tensile process. Under the same axial tensile strain, the band gap of the fivefold twin is always larger than those of the lamellar twin and the bulk diamond due to the formation of in-plane five-membered carbon rings in the center. The findings of the tunable band gap by strain engineering will benefit for the innovation and design of advanced diamond functional devices. © 2022 Elsevier Ltd |
关键词 | Bond length Calculations Compressive stress Diamond films Electronic structure High resolution transmission electron microscopy Microwaves Nanocrystals Plasma CVD Plasma enhanced chemical vapor deposition Tensile strain Axial tensile strain Diamond thin film First principle calculations Nanocrystalline diamond films Polycrystalline diamond films Strain engineering Synthesised Tunable Band-gap Twin boundaries Wide band gap semiconductor materials |
DOI | 10.1016/j.carbon.2022.08.065 |
收录类别 | EI ; SCIE |
语种 | 英语 |
WOS研究方向 | Chemistry ; Materials Science |
WOS类目 | Chemistry, Physical ; Materials Science, Multidisciplinary |
WOS记录号 | WOS:000860659200003 |
出版者 | Elsevier Ltd |
EI入藏号 | 20223712708732 |
EI主题词 | Energy gap |
EI分类号 | 711 Electromagnetic Waves ; 741.3 Optical Devices and Systems ; 761 Nanotechnology ; 801.4 Physical Chemistry ; 802.2 Chemical Reactions ; 813.1 Coating Techniques ; 921 Mathematics ; 931.1 Mechanics ; 931.3 Atomic and Molecular Physics ; 932.3 Plasma Physics ; 933.1 Crystalline Solids |
来源库 | WOS |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | https://ir.lut.edu.cn/handle/2XXMBERH/160239 |
专题 | 材料科学与工程学院_特聘教授组 |
通讯作者 | Chen, Chunlin |
作者单位 | 1.Univ Sci & Technol China, Chinese Acad Sci, Inst Met Res, Sch Mat Sci & Engn,Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China; 2.Ji Hua Lab, Foshan 528200, Peoples R China; 3.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China |
推荐引用方式 GB/T 7714 | Yan, Xuexi,Jiang, Yixiao,Yang, Bing,et al. Tunable band gap of diamond twin boundaries by strain engineering[J]. Carbon,2022,200:483-490. |
APA | Yan, Xuexi.,Jiang, Yixiao.,Yang, Bing.,Ma, Shangyi.,Yao, Tingting.,...&Ye, Hengqiang.(2022).Tunable band gap of diamond twin boundaries by strain engineering.Carbon,200,483-490. |
MLA | Yan, Xuexi,et al."Tunable band gap of diamond twin boundaries by strain engineering".Carbon 200(2022):483-490. |
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