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Atomic and electronic structures of the native defects responsible for the resistive effect in HfO2 : ab initio simulations. / Perevalov, T. V.; Islamov, D. R.

In: Microelectronic Engineering, Vol. 216, 111038, 15.08.2019.

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

Harvard

Perevalov, TV & Islamov, DR 2019, 'Atomic and electronic structures of the native defects responsible for the resistive effect in HfO2: ab initio simulations', Microelectronic Engineering, vol. 216, 111038. https://doi.org/10.1016/j.mee.2019.111038

APA

Perevalov, T. V., & Islamov, D. R. (2019). Atomic and electronic structures of the native defects responsible for the resistive effect in HfO2: ab initio simulations. Microelectronic Engineering, 216, [111038]. https://doi.org/10.1016/j.mee.2019.111038

Vancouver

Perevalov TV, Islamov DR. Atomic and electronic structures of the native defects responsible for the resistive effect in HfO2: ab initio simulations. Microelectronic Engineering. 2019 Aug 15;216:111038. doi: 10.1016/j.mee.2019.111038

Author

Perevalov, T. V. ; Islamov, D. R. / Atomic and electronic structures of the native defects responsible for the resistive effect in HfO2 : ab initio simulations. In: Microelectronic Engineering. 2019 ; Vol. 216.

BibTeX

@article{bfdeb5542e0f4e11bad1b7df9df5eb30,
title = "Atomic and electronic structures of the native defects responsible for the resistive effect in HfO2: ab initio simulations",
abstract = "The oxygen vacancy, interstitial oxygen and hafnium, hafnium substituting oxygen and oxygen Frenkel pair in HfO2 are the probable defects which are able to participate in the conducting filament formation in hafnia-based RRAM. In this paper, we studied the atomic and electronic structures of above-listed defects within the first principles simulation. It was found that all studied defects can be involved in the charge transport. Oxygen vacancies are the key defects for the charge transport and RRAM operability. It was suggested that interstitial oxygen atoms make a significant contribution to the HfO2 hole conductivity. The hafnium interstitial competes with an oxygen interstitial and the Frenkel pair in the conducting filament formation in O-poor conditions. The oxygen vacancies and hafnium substituting oxygen pairs atomic structure indicate a tendency to these defects clustering.",
keywords = "Charge trapping, Density functional theory, Hafnium oxide, Native defects, Oxygen vacancy, RRAM, OXYGEN",
author = "Perevalov, {T. V.} and Islamov, {D. R.}",
year = "2019",
month = aug,
day = "15",
doi = "10.1016/j.mee.2019.111038",
language = "English",
volume = "216",
journal = "Microelectronic Engineering",
issn = "0167-9317",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Atomic and electronic structures of the native defects responsible for the resistive effect in HfO2

T2 - ab initio simulations

AU - Perevalov, T. V.

AU - Islamov, D. R.

PY - 2019/8/15

Y1 - 2019/8/15

N2 - The oxygen vacancy, interstitial oxygen and hafnium, hafnium substituting oxygen and oxygen Frenkel pair in HfO2 are the probable defects which are able to participate in the conducting filament formation in hafnia-based RRAM. In this paper, we studied the atomic and electronic structures of above-listed defects within the first principles simulation. It was found that all studied defects can be involved in the charge transport. Oxygen vacancies are the key defects for the charge transport and RRAM operability. It was suggested that interstitial oxygen atoms make a significant contribution to the HfO2 hole conductivity. The hafnium interstitial competes with an oxygen interstitial and the Frenkel pair in the conducting filament formation in O-poor conditions. The oxygen vacancies and hafnium substituting oxygen pairs atomic structure indicate a tendency to these defects clustering.

AB - The oxygen vacancy, interstitial oxygen and hafnium, hafnium substituting oxygen and oxygen Frenkel pair in HfO2 are the probable defects which are able to participate in the conducting filament formation in hafnia-based RRAM. In this paper, we studied the atomic and electronic structures of above-listed defects within the first principles simulation. It was found that all studied defects can be involved in the charge transport. Oxygen vacancies are the key defects for the charge transport and RRAM operability. It was suggested that interstitial oxygen atoms make a significant contribution to the HfO2 hole conductivity. The hafnium interstitial competes with an oxygen interstitial and the Frenkel pair in the conducting filament formation in O-poor conditions. The oxygen vacancies and hafnium substituting oxygen pairs atomic structure indicate a tendency to these defects clustering.

KW - Charge trapping

KW - Density functional theory

KW - Hafnium oxide

KW - Native defects

KW - Oxygen vacancy

KW - RRAM

KW - OXYGEN

UR - http://www.scopus.com/inward/record.url?scp=85067523985&partnerID=8YFLogxK

U2 - 10.1016/j.mee.2019.111038

DO - 10.1016/j.mee.2019.111038

M3 - Article

AN - SCOPUS:85067523985

VL - 216

JO - Microelectronic Engineering

JF - Microelectronic Engineering

SN - 0167-9317

M1 - 111038

ER -

ID: 20642633