Effects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles study
Abstract We have investigated the effects of graphene intercalation on dielectric reliability of HfO2 for Ni/Gr/HfO2 interfaces, and the effects of graphene intercalation and interfacial atom vacancy on the effective work function (EWF) of Ni/Gr/HfO2 interfaces using first-principle calculation base...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2018-01-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-018-19411-0 |
| _version_ | 1818998056846098432 |
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| author | Kehua Zhong Yanmin Yang Jian-Min Zhang Guigui Xu Zhigao Huang |
| author_facet | Kehua Zhong Yanmin Yang Jian-Min Zhang Guigui Xu Zhigao Huang |
| author_sort | Kehua Zhong |
| collection | DOAJ |
| description | Abstract We have investigated the effects of graphene intercalation on dielectric reliability of HfO2 for Ni/Gr/HfO2 interfaces, and the effects of graphene intercalation and interfacial atom vacancy on the effective work function (EWF) of Ni/Gr/HfO2 interfaces using first-principle calculation based on density functional theory. The calculated results indicate that graphene intercalation can improve dielectric reliability of HfO2 dielectric even for the interfaces having interfacial oxygen vacancy or a small amount carbon vacancy. Moreover, the calculated results indicate that, inserting graphene into Ni/HfO2 interface induces the EWF’s to decline, and controlling interfacial oxygen or carbon vacancy can effectively tune the EWF of Ni/Gr/HfO2 interface. Our work strongly suggests that the use of graphene synthesized into Ni/HfO2 interface is a very effective way to improve the interface quality, and controlling interfacial oxygen or carbon vacancy is also an attractive and promising way for modulating the EWF of Ni/Gr/HfO2 interfaces. |
| first_indexed | 2024-12-20T21:55:28Z |
| format | Article |
| id | doaj.art-1f8d0061ebf8461a882dba270405ae3d |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-12-20T21:55:28Z |
| publishDate | 2018-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-1f8d0061ebf8461a882dba270405ae3d2022-12-21T19:25:27ZengNature PortfolioScientific Reports2045-23222018-01-01811910.1038/s41598-018-19411-0Effects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles studyKehua Zhong0Yanmin Yang1Jian-Min Zhang2Guigui Xu3Zhigao Huang4Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal UniversityFujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal UniversityFujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal UniversityFujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal UniversityFujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal UniversityAbstract We have investigated the effects of graphene intercalation on dielectric reliability of HfO2 for Ni/Gr/HfO2 interfaces, and the effects of graphene intercalation and interfacial atom vacancy on the effective work function (EWF) of Ni/Gr/HfO2 interfaces using first-principle calculation based on density functional theory. The calculated results indicate that graphene intercalation can improve dielectric reliability of HfO2 dielectric even for the interfaces having interfacial oxygen vacancy or a small amount carbon vacancy. Moreover, the calculated results indicate that, inserting graphene into Ni/HfO2 interface induces the EWF’s to decline, and controlling interfacial oxygen or carbon vacancy can effectively tune the EWF of Ni/Gr/HfO2 interface. Our work strongly suggests that the use of graphene synthesized into Ni/HfO2 interface is a very effective way to improve the interface quality, and controlling interfacial oxygen or carbon vacancy is also an attractive and promising way for modulating the EWF of Ni/Gr/HfO2 interfaces.https://doi.org/10.1038/s41598-018-19411-0 |
| spellingShingle | Kehua Zhong Yanmin Yang Jian-Min Zhang Guigui Xu Zhigao Huang Effects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles study Scientific Reports |
| title | Effects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles study |
| title_full | Effects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles study |
| title_fullStr | Effects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles study |
| title_full_unstemmed | Effects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles study |
| title_short | Effects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles study |
| title_sort | effects of graphene intercalation on dielectric reliability of hfo2 and modulation of effective work function for ni gr c hfo2 interfaces first principles study |
| url | https://doi.org/10.1038/s41598-018-19411-0 |
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