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Title: Electronic structure, spin-orbit coupling, and interlayer interaction in bulk MoS 2 and WS 2

Abstract

Here, we present in-depth measurements of the electronic band structure of the transition-metal dichalcogenides (TMDs) MoS2 and WS2 using angle-resolved photoemission spectroscopy, with focus on the energy splittings in their valence bands at the K point of the Brillouin zone. Experimental results are interpreted in terms of our parallel first-principles computations. We find that interlayer interaction only weakly contributes to the splitting in bulk WS2, resolving previous debates on its relative strength. We additionally find that across a range of TMDs, the band gap generally decreases with increasing magnitude of the valence-band splitting, molecular mass, or ratio of the out-of-plane to in-plane lattice constant. Our findings offer an important reference for future studies of electronic properties of MoS2 and WS2 and their applications in spintronics and valleytronics devices.

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [3];  [2];  [7];  [2]
  1. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
  3. Arizona State Univ., Tempe, AZ (United States)
  4. National Tsing Hua Univ., Hsinchu (Taiwan)
  5. National Univ. of Singapore (Singapore)
  6. National Tsing Hua Univ., Hsinchu (Taiwan); Academia Sinica, Taipei (Taiwan)
  7. Northeastern Univ., Boston, MA (United States)
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)
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)
OSTI Identifier:
1371089
Alternate Identifier(s):
OSTI ID: 1184434
Grant/Contract Number:  
SC0012575; AC02-05CH11231; FG02-07ER46352
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 91; Journal Issue: 23; Related Information: CCDM partners with Temple University (lead); Brookhaven National Laboratory; Drexel University; Duke University; North Carolina State University; Northeastern University; Princeton University; Rice University; University of Pennsylvania; 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

Citation Formats

Latzke, Drew W., Zhang, Wentao, Suslu, Aslihan, Chang, Tay-Rong, Lin, Hsin, Jeng, Horng-Tay, Tongay, Sefaattin, Wu, Junqiao, Bansil, Arun, and Lanzara, Alessandra. Electronic structure, spin-orbit coupling, and interlayer interaction in bulk MoS2 and WS2. United States: N. p., 2015. Web. doi:10.1103/PhysRevB.91.235202.
Latzke, Drew W., Zhang, Wentao, Suslu, Aslihan, Chang, Tay-Rong, Lin, Hsin, Jeng, Horng-Tay, Tongay, Sefaattin, Wu, Junqiao, Bansil, Arun, & Lanzara, Alessandra. Electronic structure, spin-orbit coupling, and interlayer interaction in bulk MoS2 and WS2. United States. https://doi.org/10.1103/PhysRevB.91.235202
Latzke, Drew W., Zhang, Wentao, Suslu, Aslihan, Chang, Tay-Rong, Lin, Hsin, Jeng, Horng-Tay, Tongay, Sefaattin, Wu, Junqiao, Bansil, Arun, and Lanzara, Alessandra. 2015. "Electronic structure, spin-orbit coupling, and interlayer interaction in bulk MoS2 and WS2". United States. https://doi.org/10.1103/PhysRevB.91.235202. https://www.osti.gov/servlets/purl/1371089.
@article{osti_1371089,
title = {Electronic structure, spin-orbit coupling, and interlayer interaction in bulk MoS2 and WS2},
author = {Latzke, Drew W. and Zhang, Wentao and Suslu, Aslihan and Chang, Tay-Rong and Lin, Hsin and Jeng, Horng-Tay and Tongay, Sefaattin and Wu, Junqiao and Bansil, Arun and Lanzara, Alessandra},
abstractNote = {Here, we present in-depth measurements of the electronic band structure of the transition-metal dichalcogenides (TMDs) MoS2 and WS2 using angle-resolved photoemission spectroscopy, with focus on the energy splittings in their valence bands at the K point of the Brillouin zone. Experimental results are interpreted in terms of our parallel first-principles computations. We find that interlayer interaction only weakly contributes to the splitting in bulk WS2, resolving previous debates on its relative strength. We additionally find that across a range of TMDs, the band gap generally decreases with increasing magnitude of the valence-band splitting, molecular mass, or ratio of the out-of-plane to in-plane lattice constant. Our findings offer an important reference for future studies of electronic properties of MoS2 and WS2 and their applications in spintronics and valleytronics devices.},
doi = {10.1103/PhysRevB.91.235202},
url = {https://www.osti.gov/biblio/1371089}, journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 23,
volume = 91,
place = {United States},
year = {Thu Jun 11 00:00:00 EDT 2015},
month = {Thu Jun 11 00:00:00 EDT 2015}
}

Journal Article:

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Cited by: 111 works
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Works referencing / citing this record:

Layer-Dependent Dielectric Function of Wafer-Scale 2D MoS 2
journal, December 2018


Van Der Waals Heterostructures with Spin‐Orbit Coupling
journal, December 2019


Tailoring of Bound Exciton Photoluminescence Emission in WS 2 Monolayers
journal, August 2019


Role of Spin–Orbit Interaction and Impurity Doping in Thermodynamic Properties of Monolayer MoS2
journal, June 2016


Stacking-controllable interlayer coupling and symmetric configuration of multilayered MoS2
journal, February 2018


Second-harmonic optical vortex conversion from WS2 monolayer
journal, June 2019


Quasi 2D electronic states with high spin-polarization in centrosymmetric MoS2 bulk crystals
journal, June 2016


Electronic structure and magnetic properties of penta-graphene nanoribbons
journal, January 2017


Band structure characterization of WS2 grown by chemical vapor deposition
journal, June 2016


Intervalley scattering in MoS 2 imaged by two-photon photoemission with a high-harmonic probe
journal, October 2016


Local strain-induced band gap fluctuations and exciton localization in aged WS 2 monolayers
journal, June 2017


Supercontinuum second harmonic generation spectroscopy of atomically thin semiconductors
journal, August 2019


Spin-resolved photoemission study of epitaxially grown MoSe 2 and WSe 2 thin films
journal, September 2016


Tuning spin–orbit coupling in 2D materials for spintronics: a topical review
journal, March 2019


Magneto-electronic properties, carrier mobility and strain effects of InSe nanoribbon
journal, October 2019


Electronic and transport properties and physical field coupling effects for net-Y nanoribbons
journal, September 2019


Electronic and optical properties of layered van der Waals heterostructure based on MS 2 (M = Mo, W) monolayers
journal, March 2019


Strain-controlled spin splitting in the conduction band of monolayer WS 2
journal, September 2016


Graphene- WS 2 heterostructures for tunable spin injection and spin transport
journal, February 2017


Layer degree of freedom for excitons in transition metal dichalcogenides
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Superconductivity in twisted graphene NbSe 2 heterostructures
journal, June 2019


Optical and electronic properties of 2 H Mo S 2 under pressure: Revealing the spin-polarized nature of bulk electronic bands
journal, May 2018


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


Van der Waals heterostructures with spin-orbit coupling
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