Two dimensionalization induced enhancing dielectric anisotropy of titania

doi:10.1016/j.jallcom.2020.155699

	Two dimensionalization induced enhancing dielectric anisotropy of titania
	Wang, Liang 2,3; Soh, Ai Kah 1; Liu, Shuangyi 2,3
刊名	JOURNAL OF ALLOYS AND COMPOUNDS
	2020-11-25
卷号	842 页码:7
关键词	DFT Two-dimensional oxide dielectrics Dielectric property Energy storage capability Future electronic devices
ISSN号	0925-8388
DOI	10.1016/j.jallcom.2020.155699
通讯作者	Liu, Shuangyi(liushuangyi@cigit.ac.cn)
英文摘要	Two dimensionalization of dielectric oxides will lead to significant variations of the dielectric properties in comparing with their bulk counterparts. To clarify the longstanding controversy how indeed dielectric properties would change is a critical prerequisite and highly demanded by the correlated scientific community and electronic industry. Here, taking titania as an example, a theoretical study by ab-initio calculations is performed for predicting the dielectric property evolution in combining with the structure transformations. Highly enhanced dielectric constant anisotropy is found that out of plane reduces significantly differed from those enlargement predictions, but electronic screening in plane enhances. While for the breakdown strength, which is always ignored in theoretical investigation, it also demonstrates that permittivity and breakdown strength can be enhanced at the expense of each other during two dimensionalization. The anisotropy between permittivity and breakdown strength can cause a much higher dielectric energy density. Such findings are very helpful for designing future atomic scale electronic and optical devices such as high voltage capacitor, excellent gate dielectrics for high frequency field effect transistor (FET) with two-dimensional oxide dielectrics. (C) 2020 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China[21875245]
WOS研究方向	Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
语种	英语
出版者	ELSEVIER SCIENCE SA
WOS记录号	WOS:000551030400009
内容类型	期刊论文
源URL	[http://119.78.100.138/handle/2HOD01W0/11290]
专题	中国科学院重庆绿色智能技术研究院
通讯作者	Liu, Shuangyi
作者单位	1.Monash Univ Malaysia, Sch Engn, Bandar Sunway, Salangor, Malaysia 2.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, 266 Fangzheng Ave, Chongqing, Peoples R China 3.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing Key Lab Multiscale Mfg Technol, Chongqing 400714, Peoples R China
推荐引用方式 GB/T 7714	Wang, Liang,Soh, Ai Kah,Liu, Shuangyi. Two dimensionalization induced enhancing dielectric anisotropy of titania[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2020,842:7.
APA	Wang, Liang,Soh, Ai Kah,&Liu, Shuangyi.(2020).Two dimensionalization induced enhancing dielectric anisotropy of titania.JOURNAL OF ALLOYS AND COMPOUNDS,842,7.
MLA	Wang, Liang,et al."Two dimensionalization induced enhancing dielectric anisotropy of titania".JOURNAL OF ALLOYS AND COMPOUNDS 842(2020):7.