Strain effects on the behavior of intrinsic point defects within the GaN/AlN interface
文献类型：期刊论文
| 作者 | Yang, Yuming1,2; Zhang, Xuemei1,2; Liu, Jun1,2; Zhang, Chuanguo1,2 ; Li, Yonggang1,2; Zeng, Zhi1,2; Zhang, Yongsheng1,2
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| 刊名 | INTERNATIONAL JOURNAL OF MODERN PHYSICS C
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| 出版日期 | 2022-06-09 |
| 关键词 | GaN AlN interface strain effects intrinsic point defects first-principles calculations diffusion barrier |
| ISSN号 | 0129-1831 |
| DOI | 10.1142/S0129183122501637 |
| 通讯作者 | Zhang, Yongsheng(yshzhang@theory.issp.ac.cn) |
| 英文摘要 | Defect behaviors in GaN-based compounds studied by using density functional theory have exhibited widely practical applications for optoelectronic devices. Ga is usually used to solubilize in AlN to release the lattice mismatch and the interface strain. In this study, we investigate the formation energies and diffusion barriers of intrinsic point defects within the GaN/AlN interface. The intrinsic defect with the lowest formation energy is positively charged N vacancy, and negatively charged Ga vacancy is the defect with second lower formation energy. Compared with the case in bulk GaN, the GaN/AlN interface promotes the generation of Ga vacancy and inhibits the generation of N vacancy. Meanwhile, the defect diffusion barrier of N vacancy within the GaN/AlN interface is higher than that in the bulk GaN. The hydrostatic compressive/tensile strain significantly promotes the generation of these two vacancy defects, while biaxial tensile strain and the biaxial compressive strain slightly promote and inhibit the generation of these two vacancy defects, respectively. These interface and strain effects provide the significant information in understanding the electrical properties of GaN-based devices, especially under the extreme conditions. Our work therefore not only elucidates defect behaviors under different strains in GaN/AlN interface, but also paves the way for understanding and designing promising electronic devices with interface engineering. |
| WOS关键词 | AB-INITIO ; GAN ; SEMICONDUCTORS ; NITRIDES ; GROWTH ; TECHNOLOGY ; RELAXATION ; ENERGIES ; GALLIUM ; DEVICES |
| WOS研究方向 | Computer Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000849415800001 |
| 出版者 | WORLD SCIENTIFIC PUBL CO PTE LTD |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/131872]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Zhang, Yongsheng |
| 作者单位 | 1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China 2.Univ Sci & Technol China, Grad Sch, Sci Isl Branch, Hefei 230026, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Yuming,Zhang, Xuemei,Liu, Jun,et al. Strain effects on the behavior of intrinsic point defects within the GaN/AlN interface[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS C,2022. |
| APA | Yang, Yuming.,Zhang, Xuemei.,Liu, Jun.,Zhang, Chuanguo.,Li, Yonggang.,...&Zhang, Yongsheng.(2022).Strain effects on the behavior of intrinsic point defects within the GaN/AlN interface.INTERNATIONAL JOURNAL OF MODERN PHYSICS C. |
| MLA | Yang, Yuming,et al."Strain effects on the behavior of intrinsic point defects within the GaN/AlN interface".INTERNATIONAL JOURNAL OF MODERN PHYSICS C (2022). |
入库方式： OAI收割
来源：合肥物质科学研究院
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