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Title: The effect of a Ta oxygen scavenger layer on HfO2-based resistive switching behavior: Thermodynamic stability, electronic structure, and low-bias transport

Abstract

Reversible resistive switching between high-resistance and low-resistance states in metal-oxide-metal heterostructures makes them very interesting for applications in random access memories. While recent experimental work has shown that inserting a metallic "oxygen scavenger layer'' between the positive electrode and oxide improves device performance, the fundamental understanding of how the scavenger layer modifies the heterostructure properties is lacking. We use density functional theory to calculate thermodynamic properties and conductance of TiN/HfO2/TiN heterostructures with and without a Ta scavenger layer. First, we show that Ta insertion lowers the formation energy of low-resistance states. Second, while the Ta scavenger layer reduces the Schottky barrier height in the high-resistance state by modifying the interface charge at the oxide-electrode interface, the heterostructure maintains a high resistance ratio between high-and low-resistance states. Lastly, we show that the low-bias conductance of device on-states becomes much less sensitive to the spatial distribution of oxygen removed from the HfO2 in the presence of the Ta layer. By providing a fundamental understanding of the observed improvements with scavenger layers, we open a path to engineer interfaces with oxygen scavenger layers to control and enhance device performance. In turn, this may enable the realization of a non-volatile low-power memory technology withmore » concomitant reduction in energy consumption by consumer electronics and offering significant benefits to society.« less

Authors:
 [1];  [2];  [1];  [3];  [3];  [4]
  1. Argonne National Lab. (ANL), Lemont, IL (United States)
  2. National Physical Lab., Teddington (United Kingdom)
  3. National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan)
  4. Argonne National Lab. (ANL), Lemont, IL (United States); Northwestern Univ., Evanston, IL (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1339297
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP
Additional Journal Information:
Journal Volume: 18; Journal Issue: 10; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Zhong, Xiaoliang, Rungger, Ivan, Zapol, Peter, Nakamura, Hisao, Asai, Yoshihiro, and Heinonen, Olle. The effect of a Ta oxygen scavenger layer on HfO2-based resistive switching behavior: Thermodynamic stability, electronic structure, and low-bias transport. United States: N. p., 2016. Web. https://doi.org/10.1039/c6cp00450d.
Zhong, Xiaoliang, Rungger, Ivan, Zapol, Peter, Nakamura, Hisao, Asai, Yoshihiro, & Heinonen, Olle. The effect of a Ta oxygen scavenger layer on HfO2-based resistive switching behavior: Thermodynamic stability, electronic structure, and low-bias transport. United States. https://doi.org/10.1039/c6cp00450d
Zhong, Xiaoliang, Rungger, Ivan, Zapol, Peter, Nakamura, Hisao, Asai, Yoshihiro, and Heinonen, Olle. Mon . "The effect of a Ta oxygen scavenger layer on HfO2-based resistive switching behavior: Thermodynamic stability, electronic structure, and low-bias transport". United States. https://doi.org/10.1039/c6cp00450d. https://www.osti.gov/servlets/purl/1339297.
@article{osti_1339297,
title = {The effect of a Ta oxygen scavenger layer on HfO2-based resistive switching behavior: Thermodynamic stability, electronic structure, and low-bias transport},
author = {Zhong, Xiaoliang and Rungger, Ivan and Zapol, Peter and Nakamura, Hisao and Asai, Yoshihiro and Heinonen, Olle},
abstractNote = {Reversible resistive switching between high-resistance and low-resistance states in metal-oxide-metal heterostructures makes them very interesting for applications in random access memories. While recent experimental work has shown that inserting a metallic "oxygen scavenger layer'' between the positive electrode and oxide improves device performance, the fundamental understanding of how the scavenger layer modifies the heterostructure properties is lacking. We use density functional theory to calculate thermodynamic properties and conductance of TiN/HfO2/TiN heterostructures with and without a Ta scavenger layer. First, we show that Ta insertion lowers the formation energy of low-resistance states. Second, while the Ta scavenger layer reduces the Schottky barrier height in the high-resistance state by modifying the interface charge at the oxide-electrode interface, the heterostructure maintains a high resistance ratio between high-and low-resistance states. Lastly, we show that the low-bias conductance of device on-states becomes much less sensitive to the spatial distribution of oxygen removed from the HfO2 in the presence of the Ta layer. By providing a fundamental understanding of the observed improvements with scavenger layers, we open a path to engineer interfaces with oxygen scavenger layers to control and enhance device performance. In turn, this may enable the realization of a non-volatile low-power memory technology with concomitant reduction in energy consumption by consumer electronics and offering significant benefits to society.},
doi = {10.1039/c6cp00450d},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 10,
volume = 18,
place = {United States},
year = {2016},
month = {2}
}

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    Works referencing / citing this record:

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    Oxygen-modulated quantum conductance for ultrathin HfO 2 -based memristive switching devices
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