Title:
METHOD, DEVICE, AND PROGRAM FOR DETECTING DIELECTRIC MATERIAL, AND DIELECTRIC COMPOSITION
Document Type and Number:
WIPO Patent Application WO/2019/111636
Kind Code:
A1
Abstract:
[Problem] To provide a method, device, and program for detecting dielectric materials which are, for example, useful for the development of novel dielectric materials. [Solution] Using a database that stores information on crystal structures, first candidate data for oxide crystal structures is obtained from the database on the basis of selected elements. Second candidate data is then obtained from the first candidate data on the basis of a first screening condition and a relative dielectric constant is obtained by first-principle calculation using the crystal structure for each oxide corresponding to the second candidate data. The first screening condition is to extract data on a crystal structure having an energy bandgap of 0.5 eV or more and in which the rise in formation energy over the most stable structure for the composition of interest is 0.05 eV or less per atom.
Inventors:
UMEDA YUJI (JP)
Application Number:
PCT/JP2018/041797
Publication Date:
June 13, 2019
Filing Date:
November 12, 2018
Export Citation:
Assignee:
TDK CORP (JP)
International Classes:
H01B3/12
Foreign References:
| JP2006199536A | 2006-08-03 | |||
| JP2008166484A | 2008-07-17 |
Other References:
KONISHI: "Material desing simulation by first-principles calculations", FUJI ELECTRIC JOURNAL, vol. 76, no. 4, - 2003, pages 241 - 245, XP055615139
KANGHOON YIM: "Novel high- K dielectrics for next-generation electronicdevices screened by automated ab initio calculations", NPG ASIA MATERIALS, vol. 7, no. 6, 2015, pages e190, XP055615142, DOI: 10.1038/am.2015.57
KANGHOON YIM: "Novel high- K dielectrics for next-generation electronicdevices screened by automated ab initio calculations", NPG ASIA MATERIALS, vol. 7, no. 6, 2015, pages e190, XP055615142, DOI: 10.1038/am.2015.57
Attorney, Agent or Firm:
MAEDA & SUZUKI (JP)
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