Deterministic role of fluorine incorporation in the amorphous Zn–O–N semiconductors: First-principles and experimental studies
In this work, the effects of F incorporation in a-ZnON are investigated through first-principles calculations and experimental demonstrations. Based on first-principles calculations, the incorporated F in a-ZnON prefers to have structural properties similar to ZnF2 rather than merely serving as a su...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2021-10-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0069115 |
| _version_ | 1819011448925323264 |
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| author | Hyoung-Do Kim Jong Heon Kim Seong Cheol Jang Ho-Hyun Nahm Hyun-Suk Kim |
| author_facet | Hyoung-Do Kim Jong Heon Kim Seong Cheol Jang Ho-Hyun Nahm Hyun-Suk Kim |
| author_sort | Hyoung-Do Kim |
| collection | DOAJ |
| description | In this work, the effects of F incorporation in a-ZnON are investigated through first-principles calculations and experimental demonstrations. Based on first-principles calculations, the incorporated F in a-ZnON prefers to have structural properties similar to ZnF2 rather than merely serving as a substitute for the anion of ZnON. Therefore, this feature of F not only effectively makes the VN formation difficult but also greatly improves the structural order of Zn–N bonds near F. The experimental results also confirmed that similar to the calculational results, the nonstoichiometric and stoichiometric Zn–N bonds were decreased and increased, respectively, by F incorporation through the x-ray photoelectron spectroscopy analysis of the N 1s subpeaks. Furthermore, the F-doped zinc oxynitride thin-film transistors exhibited significantly improved transfer characteristics with high field-effect mobility (>50 cm2/Vs). The corresponded theoretical and experimental results demonstrated the role of incorporated F as a carrier controller and a structural stabilizer for ZnON. |
| first_indexed | 2024-12-21T01:28:20Z |
| format | Article |
| id | doaj.art-7b180683ff5540a890b7d54c4980836b |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-21T01:28:20Z |
| publishDate | 2021-10-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-7b180683ff5540a890b7d54c4980836b2022-12-21T19:20:26ZengAIP Publishing LLCAIP Advances2158-32262021-10-011110105102105102-710.1063/5.0069115Deterministic role of fluorine incorporation in the amorphous Zn–O–N semiconductors: First-principles and experimental studiesHyoung-Do Kim0Jong Heon Kim1Seong Cheol Jang2Ho-Hyun Nahm3Hyun-Suk Kim4Department of Materials Science and Engineering, Chungnam National University, Daejeon 34134, Republic of KoreaDepartment of Materials Science and Engineering, Chungnam National University, Daejeon 34134, Republic of KoreaDepartment of Materials Science and Engineering, Chungnam National University, Daejeon 34134, Republic of KoreaDepartment of Physics, Korea Advanced Institute of Science and Technology, Daejeon 34141, Republic of KoreaDepartment of Materials Science and Engineering, Chungnam National University, Daejeon 34134, Republic of KoreaIn this work, the effects of F incorporation in a-ZnON are investigated through first-principles calculations and experimental demonstrations. Based on first-principles calculations, the incorporated F in a-ZnON prefers to have structural properties similar to ZnF2 rather than merely serving as a substitute for the anion of ZnON. Therefore, this feature of F not only effectively makes the VN formation difficult but also greatly improves the structural order of Zn–N bonds near F. The experimental results also confirmed that similar to the calculational results, the nonstoichiometric and stoichiometric Zn–N bonds were decreased and increased, respectively, by F incorporation through the x-ray photoelectron spectroscopy analysis of the N 1s subpeaks. Furthermore, the F-doped zinc oxynitride thin-film transistors exhibited significantly improved transfer characteristics with high field-effect mobility (>50 cm2/Vs). The corresponded theoretical and experimental results demonstrated the role of incorporated F as a carrier controller and a structural stabilizer for ZnON.http://dx.doi.org/10.1063/5.0069115 |
| spellingShingle | Hyoung-Do Kim Jong Heon Kim Seong Cheol Jang Ho-Hyun Nahm Hyun-Suk Kim Deterministic role of fluorine incorporation in the amorphous Zn–O–N semiconductors: First-principles and experimental studies AIP Advances |
| title | Deterministic role of fluorine incorporation in the amorphous Zn–O–N semiconductors: First-principles and experimental studies |
| title_full | Deterministic role of fluorine incorporation in the amorphous Zn–O–N semiconductors: First-principles and experimental studies |
| title_fullStr | Deterministic role of fluorine incorporation in the amorphous Zn–O–N semiconductors: First-principles and experimental studies |
| title_full_unstemmed | Deterministic role of fluorine incorporation in the amorphous Zn–O–N semiconductors: First-principles and experimental studies |
| title_short | Deterministic role of fluorine incorporation in the amorphous Zn–O–N semiconductors: First-principles and experimental studies |
| title_sort | deterministic role of fluorine incorporation in the amorphous zn o n semiconductors first principles and experimental studies |
| url | http://dx.doi.org/10.1063/5.0069115 |
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