Defect-Mediated Phase Transformation in Anisotropic Two-Dimensional PdSe2 Crystals for Seamless Electrical Contacts

Oyedele, Akinola; Yang, Shize; Feng, Tianli; Haglund, Amanda V.; Gu, Yiyi; Puretzky, Alexander A.; Briggs, Dayrl P.; Rouleau, Christopher M.; Chisholm, Matthew F.; Unocic, Raymond R.; Mandrus, David; Meyer, III, Harry M.; Pantelides, Sokrates T.; Geohegan, David B.; Xiao, Kai

doi:10.1021/jacs.9b02593

Title: Defect-Mediated Phase Transformation in Anisotropic Two-Dimensional PdSe₂ Crystals for Seamless Electrical Contacts

Abstract

The failure to achieve stable Ohmic contacts in two-dimensional material devices currently limits their promised performance and integration. Here we demonstrate that a phase transformation in a region of a layered semiconductor, PdSe₂, can form a contiguous metallic Pd₁₇Se₁₅ phase, leading to the formation of seamless Ohmic contacts for field-effect transistors. This phase transition is driven by defects created by exposure to an argon plasma. Cross-sectional scanning transmission electron microscopy is combined with theoretical calculations to elucidate how plasma-induced Se vacancies mediate the phase transformation. The resulting Pd₁₇Se₁₅ phase is stable and shares the same native chemical bonds with the original PdSe2 phase, thereby forming an atomically sharp Pd₁₇Se₁₅/PdSe₂ interface. Furthermore, these Pd₁₇Se₁₅ contacts exhibit a low contact resistance of ~0.75 kΩ μm and Schottky barrier height of ~3.3 meV, enabling nearly a 20-fold increase of carrier mobility in PdSe₂ transistors compared to that of traditional Ti/Au contacts. This finding opens new possibilities in the development of better electrical contacts for practical applications of 2D materials.

Authors:

Oyedele, Akinola ^[1];

^[2];

^[3]; Haglund, Amanda V. ^[4]; Gu, Yiyi ^[5];

^[2];

^[2]; Mandrus, David ^[1];

^[2]; Pantelides, Sokrates T. ^[3];

^[2];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Vanderbilt Univ., Nashville, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Chinese Academy of Sciences (CAS), Beijing (China)

Publication Date:: Wed May 15 00:00:00 EDT 2019

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Vanderbilt Univ., Nashville, TN (United States)

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

OSTI Identifier:: 1530098

Alternate Identifier(s):: OSTI ID: 1597938

Grant/Contract Number:: AC05-00OR22725; FG02-09ER46554

Resource Type:: Accepted Manuscript

Journal Name:: Journal of the American Chemical Society

Additional Journal Information:: Journal Volume: 141; Journal Issue: 22; Journal ID: ISSN 0002-7863

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Oyedele, Akinola, Yang, Shize, Feng, Tianli, Haglund, Amanda V., Gu, Yiyi, Puretzky, Alexander A., Briggs, Dayrl P., Rouleau, Christopher M., Chisholm, Matthew F., Unocic, Raymond R., Mandrus, David, Meyer, III, Harry M., Pantelides, Sokrates T., Geohegan, David B., and Xiao, Kai. Defect-Mediated Phase Transformation in Anisotropic Two-Dimensional PdSe2 Crystals for Seamless Electrical Contacts.  United States: N. p., 2019. 
Web.  doi:10.1021/jacs.9b02593.

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                    Oyedele, Akinola, Yang, Shize, Feng, Tianli, Haglund, Amanda V., Gu, Yiyi, Puretzky, Alexander A., Briggs, Dayrl P., Rouleau, Christopher M., Chisholm, Matthew F., Unocic, Raymond R., Mandrus, David, Meyer, III, Harry M., Pantelides, Sokrates T., Geohegan, David B., & Xiao, Kai. Defect-Mediated Phase Transformation in Anisotropic Two-Dimensional PdSe2 Crystals for Seamless Electrical Contacts.  United States.  https://doi.org/10.1021/jacs.9b02593

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                    Oyedele, Akinola, Yang, Shize, Feng, Tianli, Haglund, Amanda V., Gu, Yiyi, Puretzky, Alexander A., Briggs, Dayrl P., Rouleau, Christopher M., Chisholm, Matthew F., Unocic, Raymond R., Mandrus, David, Meyer, III, Harry M., Pantelides, Sokrates T., Geohegan, David B., and Xiao, Kai. Wed .  
"Defect-Mediated Phase Transformation in Anisotropic Two-Dimensional PdSe2 Crystals for Seamless Electrical Contacts".  United States.  https://doi.org/10.1021/jacs.9b02593.  https://www.osti.gov/servlets/purl/1530098.

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@article{osti_1530098,

  title        = {Defect-Mediated Phase Transformation in Anisotropic Two-Dimensional PdSe2 Crystals for Seamless Electrical Contacts},

  author       = {Oyedele, Akinola and Yang, Shize and Feng, Tianli and Haglund, Amanda V. and Gu, Yiyi and Puretzky, Alexander A. and Briggs, Dayrl P. and Rouleau, Christopher M. and Chisholm, Matthew F. and Unocic, Raymond R. and Mandrus, David and Meyer, III, Harry M. and Pantelides, Sokrates T. and Geohegan, David B. and Xiao, Kai},

  abstractNote = {The failure to achieve stable Ohmic contacts in two-dimensional material devices currently limits their promised performance and integration. Here we demonstrate that a phase transformation in a region of a layered semiconductor, PdSe2, can form a contiguous metallic Pd17Se15 phase, leading to the formation of seamless Ohmic contacts for field-effect transistors. This phase transition is driven by defects created by exposure to an argon plasma. Cross-sectional scanning transmission electron microscopy is combined with theoretical calculations to elucidate how plasma-induced Se vacancies mediate the phase transformation. The resulting Pd17Se15 phase is stable and shares the same native chemical bonds with the original PdSe2 phase, thereby forming an atomically sharp Pd17Se15/PdSe2 interface. Furthermore, these Pd17Se15 contacts exhibit a low contact resistance of ~0.75 kΩ μm and Schottky barrier height of ~3.3 meV, enabling nearly a 20-fold increase of carrier mobility in PdSe2 transistors compared to that of traditional Ti/Au contacts. This finding opens new possibilities in the development of better electrical contacts for practical applications of 2D materials.},

  doi          = {10.1021/jacs.9b02593},

  journal      = {Journal of the American Chemical Society},

  number       = 22,

  volume       = 141,

  place        = {United States},

  year         = {Wed May 15 00:00:00 EDT 2019},

  month        = {Wed May 15 00:00:00 EDT 2019}

}

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Title: Defect-Mediated Phase Transformation in Anisotropic Two-Dimensional PdSe2 Crystals for Seamless Electrical Contacts

Abstract

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Computational Study of Metal Contacts to Monolayer Transition-Metal Dichalcogenide Semiconductors journal, July 2014

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Intermixing and periodic self-assembly of borophene line defects journal, July 2018

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Computational Study of Metal Contacts to Monolayer Transition-Metal Dichalcogenide Semiconductors
journal, July 2014

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journal, April 2016

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Toward Barrier Free Contact to Molybdenum Disulfide Using Graphene Electrodes
journal, April 2015

Low Resistance Metal Contacts to MoS ₂ Devices with Nickel-Etched-Graphene Electrodes
journal, December 2014

Phase-engineered low-resistance contacts for ultrathin MoS₂ transistors
journal, August 2014

Phase patterning for ohmic homojunction contact in MoTe2
journal, August 2015

Argon Plasma Induced Phase Transition in Monolayer MoS 2
journal, July 2017

Electron-Beam Induced Transformations of Layered Tin Dichalcogenides
journal, June 2016

Novel ${Pd}_{2} {Se}_{3}$ Two-Dimensional Phase Driven by Interlayer Fusion in Layered ${PdSe}_{2}$
journal, July 2017

High Conduction Hopping Behavior Induced in Transition Metal Dichalcogenides by Percolating Defect Networks: Toward Atomically Thin Circuits
journal, August 2017

Structural phase transition in monolayer MoTe2 driven by electrostatic doping
journal, October 2017

Spatially controlled doping of two-dimensional SnS2 through intercalation for electronics
journal, February 2018

Coplanar semiconductor–metal circuitry defined on few-layer MoTe2 via polymorphic heteroepitaxy
journal, September 2017

PdSe ₂ : Pentagonal Two-Dimensional Layers with High Air Stability for Electronics
journal, September 2017

High Mobility 2D Palladium Diselenide Field-Effect Transistors with Tunable Ambipolar Characteristics
journal, April 2017

Verbeekite, the Long-Unknown Crystal Structure of Monoclinic PdSe ₂
journal, April 2017

A new 2D high-pressure phase of PdSe ₂ with high-mobility transport anisotropy for photovoltaic applications
journal, January 2019

Two Dimensional Materials Beyond MoS ₂ : Noble-Transition-Metal Dichalcogenides
journal, February 2014

Experimental Realization of Type-II Dirac Fermions in a ${PdTe}_{2}$ Superconductor
journal, July 2017

Ubiquitous formation of bulk Dirac cones and topological surface states from a single orbital manifold in transition-metal dichalcogenides
journal, November 2017

Pressure-induced superconductivity up to 13.1 K in the pyrite phase of palladium diselenide $PdS e_{2}$
journal, August 2017

Superconductivity and phase relations in the Pd-Se system
journal, August 1987

Electrical properties of some nickel-group chalcogenides
journal, March 1965

Normal state and superconducting properties of Rh ₁₇ S ₁₅ and Pd ₁₇ Se ₁₅
journal, September 2011

Topological quantum properties of chiral crystals
journal, October 2018

3D Imaging and Manipulation of Subsurface Selenium Vacancies in ${PdSe}_{2}$
journal, August 2018

Two-dimensional PdSe ₂ -Pd ₂ Se ₃ junctions can serve as nanowires
journal, June 2018

Plasma-Induced Phase Transformation of SnS2 to SnS
journal, July 2018

High-performance multilayer WSe2 field-effect transistors with carrier type control
journal, July 2017

Layer-by-Layer Thinning of MoS ₂ by Plasma
journal, April 2013

Anomalous interlayer vibrations in strongly coupled layered PdSe ₂
journal, May 2018

Tailoring Vacancies Far Beyond Intrinsic Levels Changes the Carrier Type and Optical Response in Monolayer MoSe _{2− x} Crystals
journal, July 2016

Intermixing and periodic self-assembly of borophene line defects
journal, July 2018

Intimate contacts
journal, November 2014

Coherent control of a hybrid superconducting circuit made with graphene-based van der Waals heterostructures
journal, December 2018

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Generalized Gradient Approximation Made Simple
journal, October 1996

Recent Progress on 2D Noble‐Transition‐Metal Dichalcogenides
journal, October 2019

Striated 2D Lattice with Sub‐nm 1D Etch Channels by Controlled Thermally Induced Phase Transformations of PdSe ₂
journal, September 2019

Laser-generated plasmas in length scales relevant for thin film growth and processing: simulation and experiment
journal, January 2019