Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insight
Hydrogen impurities significantly influence the electrical conductivity of oxide semiconductors such as MgIn2O4, widely used in devices such as thin-film transistors. However, their role and chemical environment have not been fully clarified. This study investigated the conductivity of MgIn2O4 at el...
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| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2025-04-01
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| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/5.0253161 |
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| author | Saki Kudo Tomoyuki Yamasaki Issei Suzuki Arunkumar Dorai Rafael Costa-Amaral Soungmin Bae Yu Kumagai Hiroshi Tanimura Tetsu Ichitsubo Takahisa Omata |
| author_facet | Saki Kudo Tomoyuki Yamasaki Issei Suzuki Arunkumar Dorai Rafael Costa-Amaral Soungmin Bae Yu Kumagai Hiroshi Tanimura Tetsu Ichitsubo Takahisa Omata |
| author_sort | Saki Kudo |
| collection | DOAJ |
| description | Hydrogen impurities significantly influence the electrical conductivity of oxide semiconductors such as MgIn2O4, widely used in devices such as thin-film transistors. However, their role and chemical environment have not been fully clarified. This study investigated the conductivity of MgIn2O4 at elevated temperatures under air and H2 atmospheres, revealing higher and reversible conductivity in H2 due to hydrogen dissolution. Hall measurements, thermal desorption spectrometry, and nuclear magnetic resonance spectroscopy revealed that hydrogen dissolves in MgIn2O4, ionizing to produce electrons and interstitial protons. Density functional theory calculations indicate that hydrogen stabilizes near vacant octahedral cation sites, forming O–H bonds and shallow donor levels. Indium atoms at magnesium sites lead to shallow donor levels, whereas oxygen vacancies form deep levels. The results identify interstitial hydrogen and indium atoms at magnesium sites, rather than oxygen vacancies, as key donors under H2-rich or low oxygen conditions, providing insights for controlling the conductivity of MgIn2O4 in devices. |
| format | Article |
| id | doaj-art-37b7e9abe31e40708caf647e7381d8a2 |
| institution | OA Journals |
| issn | 2166-532X |
| language | English |
| publishDate | 2025-04-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | APL Materials |
| spelling | doaj-art-37b7e9abe31e40708caf647e7381d8a22025-08-20T01:48:13ZengAIP Publishing LLCAPL Materials2166-532X2025-04-01134041118041118-910.1063/5.0253161Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insightSaki Kudo0Tomoyuki Yamasaki1Issei Suzuki2Arunkumar Dorai3Rafael Costa-Amaral4Soungmin Bae5Yu Kumagai6Hiroshi Tanimura7Tetsu Ichitsubo8Takahisa Omata9Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanInstitute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanInstitute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanInstitute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanInstitute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanInstitute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanInstitute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanInstitute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanInstitute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanInstitute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, JapanHydrogen impurities significantly influence the electrical conductivity of oxide semiconductors such as MgIn2O4, widely used in devices such as thin-film transistors. However, their role and chemical environment have not been fully clarified. This study investigated the conductivity of MgIn2O4 at elevated temperatures under air and H2 atmospheres, revealing higher and reversible conductivity in H2 due to hydrogen dissolution. Hall measurements, thermal desorption spectrometry, and nuclear magnetic resonance spectroscopy revealed that hydrogen dissolves in MgIn2O4, ionizing to produce electrons and interstitial protons. Density functional theory calculations indicate that hydrogen stabilizes near vacant octahedral cation sites, forming O–H bonds and shallow donor levels. Indium atoms at magnesium sites lead to shallow donor levels, whereas oxygen vacancies form deep levels. The results identify interstitial hydrogen and indium atoms at magnesium sites, rather than oxygen vacancies, as key donors under H2-rich or low oxygen conditions, providing insights for controlling the conductivity of MgIn2O4 in devices.http://dx.doi.org/10.1063/5.0253161 |
| spellingShingle | Saki Kudo Tomoyuki Yamasaki Issei Suzuki Arunkumar Dorai Rafael Costa-Amaral Soungmin Bae Yu Kumagai Hiroshi Tanimura Tetsu Ichitsubo Takahisa Omata Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insight APL Materials |
| title | Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insight |
| title_full | Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insight |
| title_fullStr | Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insight |
| title_full_unstemmed | Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insight |
| title_short | Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insight |
| title_sort | role of hydrogen in the n type oxide semiconductor mgin2o4 experimental observation of electrical conductivity and first principles insight |
| url | http://dx.doi.org/10.1063/5.0253161 |
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