Novel high-κ dielectrics for next-generation electronic devices screened by automated ab initio calculations

2015年6月12日 NPG Asia Materials 7, e6 (2015) doi:10.1038/am.2015.57

比誘電率の高い誘電体: 有望な酸化物を計算で特定する


Kanghoon Yim, Youn Yong, Joohee Lee, Kyuhyun Lee, Ho-Hyun Nahm, Jiho Yoo, Chanhee Lee, Cheol Seong Hwang & Seungwu Han

High-κ dielectrics: calculations identify promising oxides
Automated ab initio calculations have been used to screen 1,800 oxides to find those with both a high dielectric constant (κ) and bandgap. High-κ dielectrics are needed to miniaturize microelectronic devices such as CPU, DRAM and flash memory. Ideally, they should also have a large bandgap, but no dielectric has yet been found that simultaneously has both a high κ and a large bandgap. Now, researchers in South Korea have performed first-principles calculations on almost all binary and tertiary oxides identified to date. They found that while a roughly inverse relation exists between permittivity and bandgap for most oxides, several oxides buck this trend. Based on the calculation results, they compiled a list of 13 oxides that show promise for CPU, DRAM and flash memory applications.


NPG Asia Materials ISSN 1884-4049(Print) ISSN 1884-4057(Online)