First principles modelling of electron tunneling between defects in m-HfO2

Keith Patrick McKenna; Jochen Blumberger

doi:10.1016/j.mee.2015.04.009

First principles modelling of electron tunneling between defects in m-HfO2

Keith Patrick McKenna, Jochen Blumberger

Physics

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

Abstract

Defect assisted electron transfer processes in metal-oxide materials play a key role in a diverse range of effects of relevance to microelectronic applications. However, extracting the key parameters governing such processes experimentally is a challenging problem. Here, we present a first principles based investigation into electron transfer between oxygen vacancy defects in the high-k dielectric material HfO2. By calculating electron transfer parameters for defects separated by up to 15 Å we show that there is a crossover from coherent to incoherent electron transfer at about 5 Å. These results can provide invaluable input into numerical simulations of electron transfer, which can be used to model and understand important effects such as trap-assisted tunneling in advanced logic and memory devices.

Original language	English
Pages (from-to)	235-238
Number of pages	4
Journal	Microelectronic Engineering
Volume	147
DOIs	https://doi.org/10.1016/j.mee.2015.04.009
Publication status	Published - 1 Nov 2015

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10.1016/j.mee.2015.04.009

http://www.sciencedirect.com/science/article/pii/S0167931715002154

Non-equilibrium electron-ion dynamics in thin metal-oxide
McKenna, K. P. (Principal investigator)
EPSRC
1/01/13 → 30/04/18
Project: Research project (funded) › Research

First principles modelling of electron tunneling between defects in m-HfO2
McKenna, K. P. (Creator), University of York, 27 Apr 2015
DOI: 10.15124/5f35bf86-9db2-4019-9ef3-35c0db0fdcdd
Dataset

Cite this

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title = "First principles modelling of electron tunneling between defects in m-HfO2",

abstract = "Defect assisted electron transfer processes in metal-oxide materials play a key role in a diverse range of effects of relevance to microelectronic applications. However, extracting the key parameters governing such processes experimentally is a challenging problem. Here, we present a first principles based investigation into electron transfer between oxygen vacancy defects in the high-k dielectric material HfO2. By calculating electron transfer parameters for defects separated by up to 15 {\AA} we show that there is a crossover from coherent to incoherent electron transfer at about 5 {\AA}. These results can provide invaluable input into numerical simulations of electron transfer, which can be used to model and understand important effects such as trap-assisted tunneling in advanced logic and memory devices.",

author = "McKenna, {Keith Patrick} and Jochen Blumberger",

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AU - McKenna, Keith Patrick

AU - Blumberger, Jochen

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N2 - Defect assisted electron transfer processes in metal-oxide materials play a key role in a diverse range of effects of relevance to microelectronic applications. However, extracting the key parameters governing such processes experimentally is a challenging problem. Here, we present a first principles based investigation into electron transfer between oxygen vacancy defects in the high-k dielectric material HfO2. By calculating electron transfer parameters for defects separated by up to 15 Å we show that there is a crossover from coherent to incoherent electron transfer at about 5 Å. These results can provide invaluable input into numerical simulations of electron transfer, which can be used to model and understand important effects such as trap-assisted tunneling in advanced logic and memory devices.

AB - Defect assisted electron transfer processes in metal-oxide materials play a key role in a diverse range of effects of relevance to microelectronic applications. However, extracting the key parameters governing such processes experimentally is a challenging problem. Here, we present a first principles based investigation into electron transfer between oxygen vacancy defects in the high-k dielectric material HfO2. By calculating electron transfer parameters for defects separated by up to 15 Å we show that there is a crossover from coherent to incoherent electron transfer at about 5 Å. These results can provide invaluable input into numerical simulations of electron transfer, which can be used to model and understand important effects such as trap-assisted tunneling in advanced logic and memory devices.

U2 - 10.1016/j.mee.2015.04.009

DO - 10.1016/j.mee.2015.04.009

M3 - Article

SN - 0167-9317

VL - 147

SP - 235

EP - 238

JO - Microelectronic Engineering

JF - Microelectronic Engineering

ER -

First principles modelling of electron tunneling between defects in m-HfO2

Abstract

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Non-equilibrium electron-ion dynamics in thin metal-oxide

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First principles modelling of electron tunneling between defects in m-HfO2

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