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

Cited 24 time in webofscience Cited 0 time in scopus
100 Viewed 18 Downloaded
Title
Novel high-Κ dielectrics for next-generation electronic devices screened by automated ab initio calculations
Author(s)
Kanghoon Yim; Youn Yong; Joohee Lee; Kyuhyun Lee; Ho-Hyun Nahm; YJiho Yoo; Chanhee Lee; Cheol Seong Hwang; Seungwu Han
Publication Date
2015-06
Journal
NPG ASIA MATERIALS, v.7, no.6, pp.e190 -
Publisher
NATURE PUBLISHING GROUP
Abstract
As the scale of transistors and capacitors in electronics is reduced to less than a few nanometers, leakage currents pose a serious problem to the device's reliability. To overcome this dilemma, high-Κ materials that exhibit a larger permittivity and band gap are introduced as gate dielectrics to enhance both the capacitance and block leakage simultaneously. Currently, HfO2 is widely used as a high-Κ dielectric; however, a higher-Κ material remains desired for further enhancement. To find new high-Κ materials, we conduct a high-throughput ab initio calculation for band gap and permittivity. The accurate and efficient calculation is enabled by newly developed automation codes that fully automate a series of delicate methods in a highly optimized manner. We can, thus, calculate>1800 structures of binary and ternary oxides from the Inorganic Crystal Structure Database and obtain a total property map. We confirm that the inverse correlation relationship between the band gap and permittivity is roughly valid for most oxides. However, new candidate materials exhibit interesting properties, such as large permittivity, despite their large band gaps. Analyzing these materials, we discuss the origin of large Κ values and suggest design rules to find new high-Κ materials that have not yet been discovered. © 2015 Nature Publishing Group All rights reserved
URI
https://pr.ibs.re.kr/handle/8788114/3029
ISSN
1884-4049
Appears in Collections:
Center for Correlated Electron Systems(강상관계 물질 연구단) > Journal Papers (저널논문)
Files in This Item:
NPG ASIA MATERIALS_남호현.pdfDownload

qrcode

  • facebook

    twitter

  • Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
해당 아이템을 이메일로 공유하기 원하시면 인증을 거치시기 바랍니다.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

Browse