Oxygen-modulated quantum conductance for ultrathin HfO2 -based memristive switching devices

Zhong, Xiaoliang; Rungger, Ivan; Zapol, Peter; Heinonen, Olle

doi:10.1103/PhysRevB.94.165160

Title: Oxygen-modulated quantum conductance for ultrathin ${HfO}_{2}$ -based memristive switching devices

Abstract

Memristive switching devices, candidates for resistive random access memory technology, have been shown to switch off through a progression of states with quantized conductance and subsequent noninteger conductance (in terms of conductance quantum G₀). We have performed calculations based on density functional theory to model the switching process for a Pt-HfO₂-Pt structure, involving the movement of one or two oxygen atoms. Oxygen atoms moving within a conductive oxygen vacancy filament act as tunneling barriers, and partition the filament into weakly coupled quantum wells. We show that the low-bias conductance decreases exponentially when one oxygen atom moves away from interface. In conclusion, our results demonstrate the high sensitivity of the device conductance to the position of oxygen atoms.

Authors:

Zhong, Xiaoliang ^[1]; Rungger, Ivan ^[2]; Zapol, Peter ^[1]; Heinonen, Olle ^[3]

Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
National Physical Lab., Teddington (United Kingdom)
Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division; Northwestern Univ., Evanston, IL (United States). Northwestern-Argonne Inst. for Science and Engineering

Publication Date:: Mon Oct 24 00:00:00 EDT 2016

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); European Union (EU)

OSTI Identifier:: 1352621

Alternate Identifier(s):: OSTI ID: 1329951

Grant/Contract Number:: AC02-06CH11357; 688282

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 94; Journal Issue: 16; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 47 OTHER INSTRUMENTATION

Citation Formats


                    Zhong, Xiaoliang, Rungger, Ivan, Zapol, Peter, and Heinonen, Olle. Oxygen-modulated quantum conductance for ultrathin HfO2 -based memristive switching devices.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevB.94.165160.

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                    Zhong, Xiaoliang, Rungger, Ivan, Zapol, Peter, & Heinonen, Olle. Oxygen-modulated quantum conductance for ultrathin HfO2 -based memristive switching devices.  United States.  https://doi.org/10.1103/PhysRevB.94.165160

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                    Zhong, Xiaoliang, Rungger, Ivan, Zapol, Peter, and Heinonen, Olle. Mon .  
"Oxygen-modulated quantum conductance for ultrathin HfO2 -based memristive switching devices".  United States.  https://doi.org/10.1103/PhysRevB.94.165160.  https://www.osti.gov/servlets/purl/1352621.

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@article{osti_1352621,

  title        = {Oxygen-modulated quantum conductance for ultrathin HfO2 -based memristive switching devices},

  author       = {Zhong, Xiaoliang and Rungger, Ivan and Zapol, Peter and Heinonen, Olle},

  abstractNote = {Memristive switching devices, candidates for resistive random access memory technology, have been shown to switch off through a progression of states with quantized conductance and subsequent noninteger conductance (in terms of conductance quantum G0). We have performed calculations based on density functional theory to model the switching process for a Pt-HfO2-Pt structure, involving the movement of one or two oxygen atoms. Oxygen atoms moving within a conductive oxygen vacancy filament act as tunneling barriers, and partition the filament into weakly coupled quantum wells. We show that the low-bias conductance decreases exponentially when one oxygen atom moves away from interface. In conclusion, our results demonstrate the high sensitivity of the device conductance to the position of oxygen atoms.},

  doi          = {10.1103/PhysRevB.94.165160},

  journal      = {Physical Review B},

  number       = 16,

  volume       = 94,

  place        = {United States},

  year         = {Mon Oct 24 00:00:00 EDT 2016},

  month        = {Mon Oct 24 00:00:00 EDT 2016}

}

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Works referencing / citing this record:

Control of Switching Modes and Conductance Quantization in Oxygen Engineered HfO _x based Memristive Devices
journal, July 2017

Sharath, Sankaramangalam Ulhas; Vogel, Stefan; Molina-Luna, Leopoldo
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Competitive conductive mechanism of interstitial Ag and oxygen vacancies in Ag/Ta ₂ O ₅ /Pt stack
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Hu, Qi; Fan, Zhiqiang; Huang, Anping
Journal of Applied Physics, Vol. 126, Issue 6
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Plane-wave many-body corrections to the conductance in bulk tunnel junctions
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Dragoni, Alberto; Sklénard, Benoît; Olevano, Valerio
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Defect energetics of cubic hafnia from quantum Monte Carlo simulations
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Chimata, Raghuveer; Shin, Hyeondeok; Benali, Anouar
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DOI: 10.48550/arxiv.1904.06445

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

Abstract

Citation Formats

High ON/OFF Ratio and Quantized Conductance in Resistive Switching of ${\rm TiO}_{2}$ on Silicon journal, November 2013

The effect of a Ta oxygen scavenger layer on HfO 2 -based resistive switching behavior: thermodynamic stability, electronic structure, and low-bias transport journal, January 2016

Room temperature conductance quantization in V‖amorphous‐V 2 O 5 ‖V thin film structures journal, November 1993

Generalized gradient approximation for the exchange-correlation hole of a many-electron system journal, December 1996

Nature of the filament formed in HfO2-based resistive random access memory journal, April 2013

Towards molecular spintronics journal, March 2005

Quantum conductance and switching kinetics of AgI-based microcrossbar cells journal, March 2012

Observing “quantized” conductance steps in silver sulfide: Two parallel resistive switching mechanisms journal, January 2012

Observation of Conductance Quantization in Oxide-Based Resistive Switching Memory journal, June 2012

Multi-scale quantum point contact model for filamentary conduction in resistive random access memories devices journal, June 2014

Atomic-orbital-based approximate self-interaction correction scheme for molecules and solids journal, January 2007

Spin and molecular electronics in atomically generated orbital landscapes journal, February 2006

Quantum-size effects in hafnium-oxide resistive switching journal, May 2013

High Temperature Structure and Thermal Expansion of Some Metals as Determined by X‐Ray Diffraction Data. I. Platinum, Tantalum, Niobium, and Molybdenum journal, April 1951

The SIESTA method for ab initio order- N materials simulation journal, March 2002

Quantized conductance atomic switch journal, January 2005

Transport properties of oxygen vacancy filaments in metal/crystalline or amorphous HfO 2 /metal structures journal, October 2012

Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition journal, July 2008

Local-density functional and on-site correlations: The electronic structure of La 2 CuO 4 and LaCuO 3 journal, May 1994

Single-Atom Based Coherent Quantum Interference Device Structure journal, April 2015

Memristive devices for computing journal, January 2013

Conductance quantization in oxygen-anion-migration-based resistive switching memory devices journal, July 2013

Inhomogeneous Electron Gas journal, November 1964

Self-Consistent Equations Including Exchange and Correlation Effects journal, November 1965

Observing "Quantized" Conductance Steps in Silver Sulfide: Two Parallel Resistive Switching Mechanisms text, January 2016

Control of Switching Modes and Conductance Quantization in Oxygen Engineered HfO x based Memristive Devices journal, July 2017

Competitive conductive mechanism of interstitial Ag and oxygen vacancies in Ag/Ta 2 O 5 /Pt stack journal, August 2019

Plane-wave many-body corrections to the conductance in bulk tunnel junctions journal, February 2020

Defect energetics of cubic hafnia from quantum Monte Carlo simulations text, January 2019

Title: Oxygen-modulated quantum conductance for ultrathin ${HfO}_{2}$ -based memristive switching devices

High ON/OFF Ratio and Quantized Conductance in Resistive Switching of ${\rm TiO}_{2}$ on Silicon
journal, November 2013

The effect of a Ta oxygen scavenger layer on HfO ₂ -based resistive switching behavior: thermodynamic stability, electronic structure, and low-bias transport
journal, January 2016

Room temperature conductance quantization in V‖amorphous‐V ₂ O ₅ ‖V thin film structures
journal, November 1993

Generalized gradient approximation for the exchange-correlation hole of a many-electron system
journal, December 1996

Nature of the filament formed in HfO2-based resistive random access memory
journal, April 2013

Towards molecular spintronics
journal, March 2005

Quantum conductance and switching kinetics of AgI-based microcrossbar cells
journal, March 2012

Observing “quantized” conductance steps in silver sulfide: Two parallel resistive switching mechanisms
journal, January 2012

Observation of Conductance Quantization in Oxide-Based Resistive Switching Memory
journal, June 2012

Multi-scale quantum point contact model for filamentary conduction in resistive random access memories devices
journal, June 2014

Atomic-orbital-based approximate self-interaction correction scheme for molecules and solids
journal, January 2007

Spin and molecular electronics in atomically generated orbital landscapes
journal, February 2006

Quantum-size effects in hafnium-oxide resistive switching
journal, May 2013

High Temperature Structure and Thermal Expansion of Some Metals as Determined by X‐Ray Diffraction Data. I. Platinum, Tantalum, Niobium, and Molybdenum
journal, April 1951

The SIESTA method for ab initio order- N materials simulation
journal, March 2002

Quantized conductance atomic switch
journal, January 2005

Transport properties of oxygen vacancy filaments in metal/crystalline or amorphous HfO $_{2}$ /metal structures
journal, October 2012

Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition
journal, July 2008

Local-density functional and on-site correlations: The electronic structure of ${La}_{2}$ ${CuO}_{4}$ and ${LaCuO}_{3}$
journal, May 1994

Single-Atom Based Coherent Quantum Interference Device Structure
journal, April 2015

Memristive devices for computing
journal, January 2013

Conductance quantization in oxygen-anion-migration-based resistive switching memory devices
journal, July 2013

Inhomogeneous Electron Gas
journal, November 1964

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Observing "Quantized" Conductance Steps in Silver Sulfide: Two Parallel Resistive Switching Mechanisms
text, January 2016

Control of Switching Modes and Conductance Quantization in Oxygen Engineered HfO _x based Memristive Devices
journal, July 2017

Competitive conductive mechanism of interstitial Ag and oxygen vacancies in Ag/Ta ₂ O ₅ /Pt stack
journal, August 2019

Plane-wave many-body corrections to the conductance in bulk tunnel junctions
journal, February 2020

Defect energetics of cubic hafnia from quantum Monte Carlo simulations
text, January 2019