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...

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Autores principales:	Kehua Zhong, Yanmin Yang, Jian-Min Zhang, Guigui Xu, Zhigao Huang
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/1f8d0061ebf8461a882dba270405ae3d
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spelling	oai:doaj.org-article:1f8d0061ebf8461a882dba270405ae3d2021-12-02T15:08:13ZEffects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles study10.1038/s41598-018-19411-02045-2322https://doaj.org/article/1f8d0061ebf8461a882dba270405ae3d2018-01-01T00:00:00Zhttps://doi.org/10.1038/s41598-018-19411-0https://doaj.org/toc/2045-2322Abstract 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.Kehua ZhongYanmin YangJian-Min ZhangGuigui XuZhigao HuangNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 8, Iss 1, Pp 1-9 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q 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
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.
format	article
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
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_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_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_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
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/1f8d0061ebf8461a882dba270405ae3d
work_keys_str_mv	AT kehuazhong effectsofgrapheneintercalationondielectricreliabilityofhfo2andmodulationofeffectiveworkfunctionfornigrchfo2interfacesfirstprinciplesstudy AT yanminyang effectsofgrapheneintercalationondielectricreliabilityofhfo2andmodulationofeffectiveworkfunctionfornigrchfo2interfacesfirstprinciplesstudy AT jianminzhang effectsofgrapheneintercalationondielectricreliabilityofhfo2andmodulationofeffectiveworkfunctionfornigrchfo2interfacesfirstprinciplesstudy AT guiguixu effectsofgrapheneintercalationondielectricreliabilityofhfo2andmodulationofeffectiveworkfunctionfornigrchfo2interfacesfirstprinciplesstudy AT zhigaohuang effectsofgrapheneintercalationondielectricreliabilityofhfo2andmodulationofeffectiveworkfunctionfornigrchfo2interfacesfirstprinciplesstudy
_version_	1718388237664256000

Effects of graphene intercalation on dielectric reliability of HfO2 and modulation of effective work function for Ni/Gr/c-HfO2 interfaces: first-principles study

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