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Effect of oxygen vacancies on the ferroelectric Hf0.5Zr0.5O2 stabilization : DFT simulation. / Islamov, D. R.; Perevalov, T. V.

In: Microelectronic Engineering, Vol. 216, 111041, 15.08.2019.

Research output: Contribution to journal › Article › peer-review

Harvard

Islamov, DR & Perevalov, TV 2019, 'Effect of oxygen vacancies on the ferroelectric Hf0.5Zr0.5O2 stabilization: DFT simulation', Microelectronic Engineering, vol. 216, 111041. https://doi.org/10.1016/j.mee.2019.111041

APA

Islamov, D. R., & Perevalov, T. V. (2019). Effect of oxygen vacancies on the ferroelectric Hf0.5Zr0.5O2 stabilization: DFT simulation. Microelectronic Engineering, 216, [111041]. https://doi.org/10.1016/j.mee.2019.111041

Vancouver

Islamov DR, Perevalov TV. Effect of oxygen vacancies on the ferroelectric Hf0.5Zr0.5O2 stabilization: DFT simulation. Microelectronic Engineering. 2019 Aug 15;216:111041. doi: 10.1016/j.mee.2019.111041

Author

Islamov, D. R. ; Perevalov, T. V. / Effect of oxygen vacancies on the ferroelectric Hf0.5Zr0.5O2 stabilization : DFT simulation. In: Microelectronic Engineering. 2019 ; Vol. 216.

BibTeX

@article{fb556606023045688d1eb665ce9b3a99,
title = "Effect of oxygen vacancies on the ferroelectric Hf0.5Zr0.5O2 stabilization: DFT simulation",
abstract = "In this study, we investigate the role of oxygen vacancies for the orthorhombic noncentrosymmetric Pbc21 Hf0.5Zr0.5O2 stabilization by means of ab initio calculations. The comparative analysis of the calculated data for stable and different orthorhombic Hf0.5Zr0.5O2 phases revealed that an oxygen vacancy leads to the ferroelectric Pbc21-Hf0.5Zr0.5O2 phase destruction in case of oxygen-vacancy-rich conditions.",
keywords = "Crystallographic defects, DFT calculations, Ferroelectric materials, Hafnium oxide, Oxygen vacancy, HFO2, PRESSURE, ZRO2, HAFNIA",
author = "Islamov, {D. R.} and Perevalov, {T. V.}",
year = "2019",
month = aug,
day = "15",
doi = "10.1016/j.mee.2019.111041",
language = "English",
volume = "216",
journal = "Microelectronic Engineering",
issn = "0167-9317",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Effect of oxygen vacancies on the ferroelectric Hf0.5Zr0.5O2 stabilization

T2 - DFT simulation

AU - Islamov, D. R.

AU - Perevalov, T. V.

PY - 2019/8/15

Y1 - 2019/8/15

N2 - In this study, we investigate the role of oxygen vacancies for the orthorhombic noncentrosymmetric Pbc21 Hf0.5Zr0.5O2 stabilization by means of ab initio calculations. The comparative analysis of the calculated data for stable and different orthorhombic Hf0.5Zr0.5O2 phases revealed that an oxygen vacancy leads to the ferroelectric Pbc21-Hf0.5Zr0.5O2 phase destruction in case of oxygen-vacancy-rich conditions.

AB - In this study, we investigate the role of oxygen vacancies for the orthorhombic noncentrosymmetric Pbc21 Hf0.5Zr0.5O2 stabilization by means of ab initio calculations. The comparative analysis of the calculated data for stable and different orthorhombic Hf0.5Zr0.5O2 phases revealed that an oxygen vacancy leads to the ferroelectric Pbc21-Hf0.5Zr0.5O2 phase destruction in case of oxygen-vacancy-rich conditions.

KW - Crystallographic defects

KW - DFT calculations

KW - Ferroelectric materials

KW - Hafnium oxide

KW - Oxygen vacancy

KW - HFO2

KW - PRESSURE

KW - ZRO2

KW - HAFNIA

UR - http://www.scopus.com/inward/record.url?scp=85067172634&partnerID=8YFLogxK

U2 - 10.1016/j.mee.2019.111041

DO - 10.1016/j.mee.2019.111041

M3 - Article

AN - SCOPUS:85067172634

VL - 216

JO - Microelectronic Engineering

JF - Microelectronic Engineering

SN - 0167-9317

M1 - 111041

ER -

ID: 20589498