Layer-dependent electronic structure of an atomically heavy two-dimensional dichalcogenide

Yeh, Po-Chun; Jin, Wencan; Zaki, Nader; Zhang, Datong; Liou, Jonathan T.; Sadowski, Jerzy T.; Al-Mahboob, Abdullah; Dadap, Jerry I.; Herman, Irving P.; Sutter, Peter; Osgood, Richard M.

doi:10.1103/PhysRevB.91.041407

Title: Layer-dependent electronic structure of an atomically heavy two-dimensional dichalcogenide

Abstract

Here we report angle-resolved photoemission spectroscopic measurements of the evolution of the thickness-dependent electronic band structure of the atomically heavy two-dimensional layered dichalcogenide, tungsten diselenide $(WS e_{2})$ . Our data, taken on mechanically exfoliated $WS e_{2}$ single crystals, provide direct evidence for shifting of the valence-band maximum from $\bar{Γ}$ (multilayer $WS e_{2}$ ) to $\bar{K}$ (single-layer $WS e_{2}$ ). Further, our measurements also set a lower bound on the energy of the direct band gap and provide direct measurement of the hole effective mass.

Authors:

Yeh, Po-Chun ^[1]; Jin, Wencan ^[1]; Zaki, Nader ^[1]; Zhang, Datong ^[1]; Liou, Jonathan T. ^[1]; Sadowski, Jerzy T. ^[2]; Al-Mahboob, Abdullah ^[2]; Dadap, Jerry I. ^[1]; Herman, Irving P. ^[1]; Sutter, Peter ^[2]; Osgood, Richard M. ^[1]

Columbia Univ., New York, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)

Publication Date:: Tue Jan 20 00:00:00 EST 2015

Research Org.:: Energy Frontier Research Centers (EFRC) (United States). Re-Defining Photovoltaic Efficiency Through Molecule Scale Control (RPEMSC); Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source (NSLS)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

OSTI Identifier:: 1384789

Alternate Identifier(s):: OSTI ID: 1180227

Grant/Contract Number:: SC0001085; FG-02-04-ER-46157; AC02-98CH10886; FG 02-04-ER-46157

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 91; Journal Issue: 4; Related Information: RPEMSC partners with Columbia University (lead); Brookhaven National Laboratory; Purdue University; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; solar (photovoltaic); electrodes - solar; charge transport; materials and chemistry by design; optics; synthesis (novel materials)

Citation Formats


                    Yeh, Po-Chun, Jin, Wencan, Zaki, Nader, Zhang, Datong, Liou, Jonathan T., Sadowski, Jerzy T., Al-Mahboob, Abdullah, Dadap, Jerry I., Herman, Irving P., Sutter, Peter, and Osgood, Richard M. Layer-dependent electronic structure of an atomically heavy two-dimensional dichalcogenide.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevB.91.041407.

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                    Yeh, Po-Chun, Jin, Wencan, Zaki, Nader, Zhang, Datong, Liou, Jonathan T., Sadowski, Jerzy T., Al-Mahboob, Abdullah, Dadap, Jerry I., Herman, Irving P., Sutter, Peter, & Osgood, Richard M. Layer-dependent electronic structure of an atomically heavy two-dimensional dichalcogenide.  United States.  https://doi.org/10.1103/PhysRevB.91.041407

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                    Yeh, Po-Chun, Jin, Wencan, Zaki, Nader, Zhang, Datong, Liou, Jonathan T., Sadowski, Jerzy T., Al-Mahboob, Abdullah, Dadap, Jerry I., Herman, Irving P., Sutter, Peter, and Osgood, Richard M. Tue .  
"Layer-dependent electronic structure of an atomically heavy two-dimensional dichalcogenide".  United States.  https://doi.org/10.1103/PhysRevB.91.041407.  https://www.osti.gov/servlets/purl/1384789.

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@article{osti_1384789,

  title        = {Layer-dependent electronic structure of an atomically heavy two-dimensional dichalcogenide},

  author       = {Yeh, Po-Chun and Jin, Wencan and Zaki, Nader and Zhang, Datong and Liou, Jonathan T. and Sadowski, Jerzy T. and Al-Mahboob, Abdullah and Dadap, Jerry I. and Herman, Irving P. and Sutter, Peter and Osgood, Richard M.},

  abstractNote = {Here we report angle-resolved photoemission spectroscopic measurements of the evolution of the thickness-dependent electronic band structure of the atomically heavy two-dimensional layered dichalcogenide, tungsten diselenide (WSe2). Our data, taken on mechanically exfoliated WSe2 single crystals, provide direct evidence for shifting of the valence-band maximum from Γ¯ (multilayer WSe2) to K¯ (single-layer WSe2). Further, our measurements also set a lower bound on the energy of the direct band gap and provide direct measurement of the hole effective mass.},

  doi          = {10.1103/PhysRevB.91.041407},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 4,

  volume       = 91,

  place        = {United States},

  year         = {Tue Jan 20 00:00:00 EST 2015},

  month        = {Tue Jan 20 00:00:00 EST 2015}

}

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Title: Layer-dependent electronic structure of an atomically heavy two-dimensional dichalcogenide

Abstract

Citation Formats

Coupled Spin and Valley Physics in Monolayers of MoS 2 and Other Group-VI Dichalcogenides journal, May 2012

Optical band gap in tungsten diselenide single crystals intercalated by indium journal, March 2000

Valence-band maximum in the layered semiconductor W Se 2 : Application of constant-energy contour mapping by photoemission journal, June 1996

Direct Measurement of the Thickness-Dependent Electronic Band Structure of MoS 2 Using Angle-Resolved Photoemission Spectroscopy journal, September 2013

Optical properties of mixed transition metal dichalcogenide crystals journal, December 1989

Quantitative electron spectroscopy of surfaces: A standard data base for electron inelastic mean free paths in solids journal, February 1979

Electronic structure of transition metal dichalcogenides monolayers 1H-MX2 (M = Mo, W; X = S, Se, Te) from ab-initio theory: new direct band gap semiconductors journal, June 2012

Pentacene growth on 3-aminopropyltrimethoxysilane modified silicon dioxide journal, August 2012

Atomic subshell photoionization cross sections and asymmetry parameters: 1 ⩽ Z ⩽ 103 journal, January 1985

Optical generation of excitonic valley coherence in monolayer WSe2 journal, August 2013

A new soft X-ray photoemission microscopy beamline at the National Synchrotron Light Source journal, August 2007

Optical signature of symmetry variations and spin-valley coupling in atomically thin tungsten dichalcogenides journal, April 2013

Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2 journal, December 2013

Occupied and unoccupied electronic band structure of WSe 2 journal, April 1997

Emerging Photoluminescence in Monolayer MoS2 journal, April 2010

Electronic band structure of single-crystal and single-layer WS 2 : Influence of interlayer van der Waals interactions journal, November 2001

Microscopy of Graphene Growth, Processing, and Properties journal, April 2013

Spin resolved photoemission spectroscopy on WSe2 journal, June 1999

Electronic structure of MoSe 2 , MoS 2 , and WSe 2 . I. Band-structure calculations and photoelectron spectroscopy journal, April 1987

The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties journal, May 1969

Semiconducting Properties of Single Crystals of n ‐ and p ‐Type Tungsten Diselenide (WSe 2 ) journal, September 1968

High-mobility field-effect transistors based on transition metal dichalcogenides journal, April 2004

Band structure of MoS 2 , MoSe 2 , and α − MoTe 2 : Angle-resolved photoelectron spectroscopy and ab initio calculations journal, November 2001

A precise method for visualizing dispersive features in image plots journal, April 2011

Quantitative Determination of the Band Gap of WS 2 with Ambipolar Ionic Liquid-Gated Transistors journal, September 2012

Large spin splitting in the conduction band of transition metal dichalcogenide monolayers journal, December 2013

Transition-Metal Chalcogenides with Layer Structures and Features of the Filling of Their Brillouin Zones journal, June 1973

Three-band tight-binding model for monolayers of group-VIB transition metal dichalcogenides journal, August 2013

Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors journal, October 2011

Erratum: Occupied and unoccupied electronic band structure of WSe 2 [Phys. Rev. B 55 , 10 400 (1997)] journal, January 1999

Electronic structure of WSe 2 : A combined photoemission and inverse photoemission study journal, April 1997

Atomically Thin MoS2 A New Direct-Gap Semiconductor journal, September 2010

ABINIT: First-principles approach to material and nanosystem properties journal, December 2009

Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS 2 journal, August 2013

Electronic Structure of Few-Layer Epitaxial Graphene on Ru(0001) journal, July 2009

Tightly bound trions in monolayer MoS2 journal, December 2012

p n junctions in tungsten diselenide journal, July 1983

A brief introduction to the ABINIT software package journal, January 2005

Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H- M X 2 semiconductors ( M = Mo, W; X = S, Se, Te) journal, January 2012

Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides journal, September 2012

Evolution of Electronic Structure in Atomically Thin Sheets of WS 2 and WSe 2 journal, December 2012

Making angle-resolved photoemission measurements on corrugated monolayer crystals: Suspended exfoliated single-crystal graphene journal, September 2011

Electrical control of neutral and charged excitons in a monolayer semiconductor journal, February 2013

High-Performance Single Layered WSe2 p-FETs with Chemically Doped Contacts journal, June 2012

Quasiparticle band structures and optical properties of strained monolayer MoS 2 and WS 2 journal, April 2013

Role of Metal Contacts in Designing High-Performance Monolayer n-Type WSe 2 Field Effect Transistors journal, April 2013

Berry phase effects on electronic properties journal, July 2010

Probing substrate-dependent long-range surface structure of single-layer and multilayer Mo S 2 by low-energy electron microscopy and microprobe diffraction journal, April 2014

A precise method for visualizing dispersive features in image plots text, January 2011

Evolution of Electronic Structure in Atomically Thin Sheets of WS2 and WSe2 text, January 2012

Optical Generation of Excitonic Valley Coherence in Monolayer WSe2 text, January 2013

Doping, Contact and Interface Engineering of Two-Dimensional Layered Transition Metal Dichalcogenides Transistors journal, December 2016

De Hass-van Alphen and magnetoresistance reveal predominantly single-band transport behavior in PdTe2 journal, August 2016

Spin- and valley-coupled electronic states in monolayer WSe 2 on bilayer graphene journal, August 2015

Imaging microscopic electronic contrasts at the interface of single-layer WS 2 with oxide and boron nitride substrates journal, April 2019

Spin–orbit coupling in the band structure of monolayer WSe 2 journal, April 2015

WSe 2 -contact metal interface chemistry and band alignment under high vacuum and ultra high vacuum deposition conditions journal, April 2017

Hybrid single-layer/bulk tungsten diselenide transistors by lithographic encoding of material thickness in chemical vapor deposition journal, November 2018

Determination of band offsets, hybridization, and exciton binding in 2D semiconductor heterostructures journal, February 2017

Atomic layer deposition for nonconventional nanomaterials and their applications journal, November 2019

A Perspective on the Application of Spatially Resolved ARPES for 2D Materials journal, April 2018

Spin- and valley- coupled electronic states in monolayer WSe2 on bilayer graphene text, January 2015

Imaging microscopic electronic contrasts at the interface of single-layer WS$_2$ with oxide and boron nitride substrates text, January 2019

Coupled Spin and Valley Physics in Monolayers of ${MoS}_{2}$ and Other Group-VI Dichalcogenides
journal, May 2012

Optical band gap in tungsten diselenide single crystals intercalated by indium
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Valence-band maximum in the layered semiconductor W ${Se}_{2}$ : Application of constant-energy contour mapping by photoemission
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Direct Measurement of the Thickness-Dependent Electronic Band Structure of ${MoS}_{2}$ Using Angle-Resolved Photoemission Spectroscopy
journal, September 2013

Optical properties of mixed transition metal dichalcogenide crystals
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Quantitative electron spectroscopy of surfaces: A standard data base for electron inelastic mean free paths in solids
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Electronic structure of transition metal dichalcogenides monolayers 1H-MX₂ (M = Mo, W; X = S, Se, Te) from ab-initio theory: new direct band gap semiconductors
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Pentacene growth on 3-aminopropyltrimethoxysilane modified silicon dioxide
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Atomic subshell photoionization cross sections and asymmetry parameters: 1 ⩽ Z ⩽ 103
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Optical generation of excitonic valley coherence in monolayer WSe2
journal, August 2013

A new soft X-ray photoemission microscopy beamline at the National Synchrotron Light Source
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Optical signature of symmetry variations and spin-valley coupling in atomically thin tungsten dichalcogenides
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Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2
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Occupied and unoccupied electronic band structure of ${WSe}_{2}$
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Emerging Photoluminescence in Monolayer MoS₂
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Electronic band structure of single-crystal and single-layer ${WS}_{2} :$ Influence of interlayer van der Waals interactions
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Microscopy of Graphene Growth, Processing, and Properties
journal, April 2013

Spin resolved photoemission spectroscopy on WSe2
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Electronic structure of ${MoSe}_{2}$ , ${MoS}_{2}$ , and ${WSe}_{2}$ . I. Band-structure calculations and photoelectron spectroscopy
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The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties
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Semiconducting Properties of Single Crystals of n ‐ and p ‐Type Tungsten Diselenide (WSe ₂ )
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High-mobility field-effect transistors based on transition metal dichalcogenides
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Band structure of ${MoS}_{2},$ ${MoSe}_{2},$ and $α - {MoTe}_{2} :$ Angle-resolved photoelectron spectroscopy and ab initio calculations
journal, November 2001

A precise method for visualizing dispersive features in image plots
journal, April 2011

Quantitative Determination of the Band Gap of WS ₂ with Ambipolar Ionic Liquid-Gated Transistors
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Large spin splitting in the conduction band of transition metal dichalcogenide monolayers
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Transition-Metal Chalcogenides with Layer Structures and Features of the Filling of Their Brillouin Zones
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Three-band tight-binding model for monolayers of group-VIB transition metal dichalcogenides
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Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors
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Erratum: Occupied and unoccupied electronic band structure of ${WSe}_{2}$ [Phys. Rev. B 55 , 10 400 (1997)]
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Electronic structure of ${WSe}_{2}$ : A combined photoemission and inverse photoemission study
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Atomically Thin ${MoS}_{2}$ A New Direct-Gap Semiconductor
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ABINIT: First-principles approach to material and nanosystem properties
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Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS $_{2}$
journal, August 2013

Electronic Structure of Few-Layer Epitaxial Graphene on Ru(0001)
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Tightly bound trions in monolayer MoS2
journal, December 2012

p n junctions in tungsten diselenide
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A brief introduction to the ABINIT software package
journal, January 2005

Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H- $M X_{2}$ semiconductors ( $M$ $=$ Mo, W; $X$ $=$ S, Se, Te)
journal, January 2012

Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides
journal, September 2012

Evolution of Electronic Structure in Atomically Thin Sheets of WS ₂ and WSe ₂
journal, December 2012

Making angle-resolved photoemission measurements on corrugated monolayer crystals: Suspended exfoliated single-crystal graphene
journal, September 2011

Electrical control of neutral and charged excitons in a monolayer semiconductor
journal, February 2013

High-Performance Single Layered WSe₂ p-FETs with Chemically Doped Contacts
journal, June 2012

Quasiparticle band structures and optical properties of strained monolayer MoS $_{2}$ and WS $_{2}$
journal, April 2013

Role of Metal Contacts in Designing High-Performance Monolayer n-Type WSe ₂ Field Effect Transistors
journal, April 2013

Berry phase effects on electronic properties
journal, July 2010

Probing substrate-dependent long-range surface structure of single-layer and multilayer $Mo S_{2}$ by low-energy electron microscopy and microprobe diffraction
journal, April 2014

A precise method for visualizing dispersive features in image plots
text, January 2011

Evolution of Electronic Structure in Atomically Thin Sheets of WS2 and WSe2
text, January 2012

Optical Generation of Excitonic Valley Coherence in Monolayer WSe2
text, January 2013

Doping, Contact and Interface Engineering of Two-Dimensional Layered Transition Metal Dichalcogenides Transistors
journal, December 2016

De Hass-van Alphen and magnetoresistance reveal predominantly single-band transport behavior in PdTe2
journal, August 2016

Spin- and valley-coupled electronic states in monolayer WSe ₂ on bilayer graphene
journal, August 2015

Imaging microscopic electronic contrasts at the interface of single-layer WS ₂ with oxide and boron nitride substrates
journal, April 2019

Spin–orbit coupling in the band structure of monolayer WSe ₂
journal, April 2015

WSe ₂ -contact metal interface chemistry and band alignment under high vacuum and ultra high vacuum deposition conditions
journal, April 2017

Hybrid single-layer/bulk tungsten diselenide transistors by lithographic encoding of material thickness in chemical vapor deposition
journal, November 2018

Determination of band offsets, hybridization, and exciton binding in 2D semiconductor heterostructures
journal, February 2017

Atomic layer deposition for nonconventional nanomaterials and their applications
journal, November 2019

A Perspective on the Application of Spatially Resolved ARPES for 2D Materials
journal, April 2018

Spin- and valley- coupled electronic states in monolayer WSe2 on bilayer graphene
text, January 2015

Imaging microscopic electronic contrasts at the interface of single-layer WS$_2$ with oxide and boron nitride substrates
text, January 2019