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A first principles study of the in-plane strain effects on the dielectric constant of high-κ Be0.25Mg0.75O superlattice.
- Source :
-
Journal of Applied Physics . 8/7/2023, Vol. 134 Issue 5, p1-10. 10p. - Publication Year :
- 2023
-
Abstract
- The effects of in-plane strain on the dielectric constant of the Be0.25Mg0.75O rock salt superlattice are investigated through ab initio thermodynamics calculations. Based on a previous report that the long apical Be–O bond increased the dielectric constant, the in-plane compressive strain dielectric constant is expected to increase the dielectric constant. Unlike the zero-strain case, the apical Mg–O bonds also contribute to the increase in the dielectric constant under compressive strain. However, small Be ions tend to occupy narrow spaces in the MgO-based rock salt structure, which can lead to an increase in dielectric constant even under in-plane tensile strain, depending on the local position of Be ions and its interaction with O ions. At higher temperatures, several configurations under strain showed a significant increase in the dielectric constant due to the elongation of the apical Be–O bond. Considering temperature and strain comprehensively, this study suggests that the Be0.25MgO0.75O superlattice under −2% in-plane compressive strain could be a promising candidate structure for achieving a high-κ value of approximately 30. [ABSTRACT FROM AUTHOR]
- Subjects :
- *PERMITTIVITY
*SUPERLATTICES
*AB-initio calculations
*ROCK salt
*BERYLLIUM
Subjects
Details
- Language :
- English
- ISSN :
- 00218979
- Volume :
- 134
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Journal of Applied Physics
- Publication Type :
- Academic Journal
- Accession number :
- 169806040
- Full Text :
- https://doi.org/10.1063/5.0159353