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Two dimensionalization induced enhancing dielectric anisotropy of titania
Wang, Liang1,2; Soh, Ai Kah3; Liu, Shuangyi1,2
2020-11-25
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.
关键词DFT Two-dimensional oxide dielectrics Dielectric property Energy storage capability Future electronic devices
DOI10.1016/j.jallcom.2020.155699
发表期刊JOURNAL OF ALLOYS AND COMPOUNDS
ISSN0925-8388
卷号842页码:7
通讯作者Liu, Shuangyi(liushuangyi@cigit.ac.cn)
收录类别SCI
WOS记录号WOS:000551030400009
语种英语