| Status | 已發表Published |
| Novel Optical Absorption Properties of Phase Segregation BexZn1-xO Alloy: First Principle Calculation | |
| Su, Long-Xing; Wang, Yu-Chao; Zhu, Yuan; Du, Long-Zhong; Zhang, Quan-Lin; Chen, Ming-Ming; He, Hai-Yan; Gui, Xu-Chun; Pan, Bi-Cai; Tang, Zi-Kang; Tao, CW | |
| 2018 | |
| Conference Name | MECHANICS AND MATERIALS SCIENCE |
| Pages | 1141-1149 |
| Publication Place | PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE |
| Publisher | WORLD SCIENTIFIC PUBL CO PTE LTD |
| Abstract | Structural and bandgap properties of BexZn1-xO alloy films were investigated by first-principles calculations. The alloy phase segregation caused by large lattice distortion and bowing parameter was predicted at intermediate Be content and was latterly confirmed by X-ray diffraction (XRD) measurement. In the case of the phase segregated BeZnO, two absorption edges, a weak absorption shoulder and a near band edge absorption, were observed in our calculated optical absorption spectra. The shoulder absorption trends to be eliminated by suppressing the phase segregation of BeZnO. By the further study on detailed density of states (DOS), the weak non-band-edge absorption shoulder is essentially originates from the electrons transferring from the 2p orbitals of oxygen atoms nearby the grain boundary between ZnO and BeO crystallites to the 4s orbitals of all of Zn atoms in the system. Such optical absorption spectra features provide a new phenomenon and mechanism in the novel alloy system BeZnO. |
| Keyword | Semiconductor Phase Segregation Absorption Specta First Principle Calculation |
| URL | View the original |
| Indexed By | CPCI |
| Language | 英語English |
| WOS Research Area | Engineering ; Materials Science ; Mechanics |
| WOS Subject | Engineering, Mechanical ; Materials Science, Multidisciplinary ; Mechanics |
| WOS ID | WOS:000428201900146 |
| The Source to Article | WOS |
| Fulltext Access | |
| Citation statistics | |
| Document Type | Conference paper |
| Collection | University of Macau |
| Recommended Citation GB/T 7714 | Su, Long-Xing,Wang, Yu-Chao,Zhu, Yuan,et al. Novel Optical Absorption Properties of Phase Segregation BexZn1-xO Alloy: First Principle Calculation[C], PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE:WORLD SCIENTIFIC PUBL CO PTE LTD, 2018, 1141-1149. |
| APA | Su, Long-Xing., Wang, Yu-Chao., Zhu, Yuan., Du, Long-Zhong., Zhang, Quan-Lin., Chen, Ming-Ming., He, Hai-Yan., Gui, Xu-Chun., Pan, Bi-Cai., Tang, Zi-Kang., & Tao, CW (2018). Novel Optical Absorption Properties of Phase Segregation BexZn1-xO Alloy: First Principle Calculation. , 1141-1149. |
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