Systematic Search for Stabilizing Dopants in ZrO₂ and HfO₂ Using First-Principles Calculations-Reference-Cited by-同舟云学术

Systematic Search for Stabilizing Dopants in ZrO₂ and HfO₂ Using First-Principles Calculations

Published:2023-11 Issue:4 Volume:36 Page:543-546
ISSN:0894-6507
Container-title:IEEE Transactions on Semiconductor Manufacturing
language:
Short-container-title:IEEE Trans. Semicond. Manufact.

Author:

Harashima Yosuke¹^ORCID,Koga Hiroaki²^ORCID,Ni Zeyuan³^ORCID,Yonehara Takehiro²^ORCID,Katouda Michio²^ORCID,Notake Akira⁴^ORCID,Matsui Hidefumi³^ORCID,Moriya Tsuyoshi⁵^ORCID,Si Mrinal Kanti⁶^ORCID,Hasunuma Ryu⁷,Uedono Akira⁷^ORCID,Shigeta Yasuteru⁶^ORCID

Affiliation:

1. Division of Materials Science, Nara Institute of Science and Technology, Ikoma, Japan

2. Department of Computational Science and Technology, Research Organization for Information Science and Technology, Tokyo, Japan

3. S-Technology Development Center, Tokyo Electron Technology Solutions Ltd., Nirasaki, Japan

4. SDC AI Development Department, Tokyo Electron Ltd., Sapporo, Japan

5. Advanced Data Planning Department, Tokyo Electron Ltd., Tokyo, Japan

6. Center for Computational Sciences, University of Tsukuba, Tsukuba, Japan

7. Faculty of Pure and Applied Science, University of Tsukuba, Tsukuba, Japan

Funder

JSPS KAKENHI

Publisher

Institute of Electrical and Electronics Engineers (IEEE)

Subject

Electrical and Electronic Engineering,Industrial and Manufacturing Engineering,Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Link

http://xplorestaging.ieee.org/ielx7/66/10299929/10098152.pdf?arnumber=10098152

Reference16 articles.

1. Facile NO-CO elimination over zirconia-coated Cu(1 1 0) surfaces: Further evidence from DFT + U calculations

2. Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study

3. Effect of R-site substitution and the pressure on stability of RFe 12: A first-principles study

4. Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals

5. Generalized Gradient Approximation Made Simple

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