Defect creation in amorphous HfO2 facilitated by hole and electron injection

Jack Strand; Moloud Kaviani; Alexander L. Shluger

doi:10.1016/j.mee.2017.05.005

Defect creation in amorphous HfO₂ facilitated by hole and electron injection

Jack Strand, Moloud Kaviani, Alexander L. Shluger

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

9 Citations (Scopus)

Abstract

Using Density Functional Theory (DFT) calculations we modeled the mechanisms of formation of oxygen vacancies and interstitial ions in amorphous HfO₂ under electron and hole injection conditions. The results demonstrate that injected electrons and holes can create strongly localised bipolaron states at intrinsic trapping sites in amorphous structure. These bipolarons decompose into stable and mobile O vacancies and interstitial ions upon thermal activation. These mechanisms can contribute to dielectric breakdown of gate oxide films and electro-forming in RRAM cells based on amorphous HfO₂.

Original language	English
Pages (from-to)	279-283
Number of pages	5
Journal	Microelectronic Engineering
Volume	178
DOIs	https://doi.org/10.1016/j.mee.2017.05.005
Publication status	Published - 2017 Jun 25

Keywords

Amorphous HfO
Density Functional Theory
Electron injection
Frenkel defects
RRAM
Thin films

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Surfaces, Coatings and Films
Electrical and Electronic Engineering

Access to Document

10.1016/j.mee.2017.05.005

Cite this

@article{023c8cf5f94648009e499afb40ae8b91,

title = "Defect creation in amorphous HfO2 facilitated by hole and electron injection",

abstract = "Using Density Functional Theory (DFT) calculations we modeled the mechanisms of formation of oxygen vacancies and interstitial ions in amorphous HfO2 under electron and hole injection conditions. The results demonstrate that injected electrons and holes can create strongly localised bipolaron states at intrinsic trapping sites in amorphous structure. These bipolarons decompose into stable and mobile O vacancies and interstitial ions upon thermal activation. These mechanisms can contribute to dielectric breakdown of gate oxide films and electro-forming in RRAM cells based on amorphous HfO2.",

keywords = "Amorphous HfO, Density Functional Theory, Electron injection, Frenkel defects, RRAM, Thin films",

author = "Jack Strand and Moloud Kaviani and Shluger, {Alexander L.}",

note = "Funding Information: M.K. and A.L.S. are grateful to the World Premier International Research Center Initiative (WPI) sponsored by the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan for financial support. A.L.S. acknowledges funding provided by EPSRC under grant no. EP/K01739X/1. J.S. is funded by the Engineering and Physical Sciences Research Council (EPSRC), grant no. EP/G036675/1 to the Center for Doctoral Training. The computational resources on the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk) were provided via the UK's HEC Materials Chemistry Consortium, funded by EPSRC (EP/L000202). We would like to thank G. Bersuker and B. Kaczer for valuable comments and discussions. Publisher Copyright: {\textcopyright} 2017",

year = "2017",

month = jun,

day = "25",

doi = "10.1016/j.mee.2017.05.005",

language = "English",

volume = "178",

pages = "279--283",

journal = "Microelectronic Engineering",

issn = "0167-9317",

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TY - JOUR

T1 - Defect creation in amorphous HfO2 facilitated by hole and electron injection

AU - Strand, Jack

AU - Kaviani, Moloud

AU - Shluger, Alexander L.

N1 - Funding Information: M.K. and A.L.S. are grateful to the World Premier International Research Center Initiative (WPI) sponsored by the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan for financial support. A.L.S. acknowledges funding provided by EPSRC under grant no. EP/K01739X/1. J.S. is funded by the Engineering and Physical Sciences Research Council (EPSRC), grant no. EP/G036675/1 to the Center for Doctoral Training. The computational resources on the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk) were provided via the UK's HEC Materials Chemistry Consortium, funded by EPSRC (EP/L000202). We would like to thank G. Bersuker and B. Kaczer for valuable comments and discussions. Publisher Copyright: © 2017

PY - 2017/6/25

Y1 - 2017/6/25

N2 - Using Density Functional Theory (DFT) calculations we modeled the mechanisms of formation of oxygen vacancies and interstitial ions in amorphous HfO2 under electron and hole injection conditions. The results demonstrate that injected electrons and holes can create strongly localised bipolaron states at intrinsic trapping sites in amorphous structure. These bipolarons decompose into stable and mobile O vacancies and interstitial ions upon thermal activation. These mechanisms can contribute to dielectric breakdown of gate oxide films and electro-forming in RRAM cells based on amorphous HfO2.

AB - Using Density Functional Theory (DFT) calculations we modeled the mechanisms of formation of oxygen vacancies and interstitial ions in amorphous HfO2 under electron and hole injection conditions. The results demonstrate that injected electrons and holes can create strongly localised bipolaron states at intrinsic trapping sites in amorphous structure. These bipolarons decompose into stable and mobile O vacancies and interstitial ions upon thermal activation. These mechanisms can contribute to dielectric breakdown of gate oxide films and electro-forming in RRAM cells based on amorphous HfO2.

KW - Amorphous HfO

KW - Density Functional Theory

KW - Electron injection

KW - Frenkel defects

KW - RRAM

KW - Thin films

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