Two dimensionalization induced enhancing dielectric anisotropy of titania

Liang Wang, Ai Kah Soh, Shuangyi Liu

Research output: Contribution to journalArticleResearchpeer-review


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.

Original languageEnglish
Article number155699
Number of pages7
JournalJournal of Alloys and Compounds
Publication statusPublished - 25 Nov 2020


  • DFT
  • Dielectric property
  • Energy storage capability
  • Future electronic devices
  • Two-dimensional oxide dielectrics

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