skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A tight-binding model for MoS 2 monolayers

Authors:
; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1238834
Grant/Contract Number:  
FG02-07ER46354
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Physics. Condensed Matter
Additional Journal Information:
Journal Name: Journal of Physics. Condensed Matter Journal Volume: 27 Journal Issue: 36; Journal ID: ISSN 0953-8984
Publisher:
IOP Publishing
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Ridolfi, E., Le, D., Rahman, T. S., Mucciolo, E. R., and Lewenkopf, C. H. A tight-binding model for MoS 2 monolayers. United Kingdom: N. p., 2015. Web. doi:10.1088/0953-8984/27/36/365501.
Ridolfi, E., Le, D., Rahman, T. S., Mucciolo, E. R., & Lewenkopf, C. H. A tight-binding model for MoS 2 monolayers. United Kingdom. doi:10.1088/0953-8984/27/36/365501.
Ridolfi, E., Le, D., Rahman, T. S., Mucciolo, E. R., and Lewenkopf, C. H. Tue . "A tight-binding model for MoS 2 monolayers". United Kingdom. doi:10.1088/0953-8984/27/36/365501.
@article{osti_1238834,
title = {A tight-binding model for MoS 2 monolayers},
author = {Ridolfi, E. and Le, D. and Rahman, T. S. and Mucciolo, E. R. and Lewenkopf, C. H.},
abstractNote = {},
doi = {10.1088/0953-8984/27/36/365501},
journal = {Journal of Physics. Condensed Matter},
number = 36,
volume = 27,
place = {United Kingdom},
year = {2015},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1088/0953-8984/27/36/365501

Citation Metrics:
Cited by: 19 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

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


Electronic structure of a single MoS2 monolayer
journal, May 2012


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Band offsets and heterostructures of two-dimensional semiconductors
journal, January 2013

  • Kang, Jun; Tongay, Sefaattin; Zhou, Jian
  • Applied Physics Letters, Vol. 102, Issue 1
  • DOI: 10.1063/1.4774090

Projector augmented-wave method
journal, December 1994


Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene
journal, March 2013

  • Butler, Sheneve Z.; Hollen, Shawna M.; Cao, Linyou
  • ACS Nano, Vol. 7, Issue 4, p. 2898-2926
  • DOI: 10.1021/nn400280c

Effective lattice Hamiltonian for monolayer MoS 2 : Tailoring electronic structure with perpendicular electric and magnetic fields
journal, August 2013


Emerging Photoluminescence in Monolayer MoS2
journal, April 2010

  • Splendiani, Andrea; Sun, Liang; Zhang, Yuanbo
  • Nano Letters, Vol. 10, Issue 4, p. 1271-1275
  • DOI: 10.1021/nl903868w

Van der Waals heterostructures
journal, July 2013

  • Geim, A. K.; Grigorieva, I. V.
  • Nature, Vol. 499, Issue 7459, p. 419-425
  • DOI: 10.1038/nature12385

Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004


Simplified LCAO Method for the Periodic Potential Problem
journal, June 1954


Observation of Excitonic Rydberg States in Monolayer MoS 2 and WS 2 by Photoluminescence Excitation Spectroscopy
journal, April 2015

  • Hill, Heather M.; Rigosi, Albert F.; Roquelet, Cyrielle
  • Nano Letters, Vol. 15, Issue 5
  • DOI: 10.1021/nl504868p

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
journal, November 2012

  • Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras
  • Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712
  • DOI: 10.1038/nnano.2012.193

The band structures of some transition metal dichalcogenides. III. Group VIA: trigonal prism materials
journal, April 1972

  • Bromley, R. A.; Murray, R. B.; Yoffe, A. D.
  • Journal of Physics C: Solid State Physics, Vol. 5, Issue 7
  • DOI: 10.1088/0022-3719/5/7/007

Band Structures of Transition-Metal-Dichalcogenide Layer Compounds
journal, October 1973


Single Layer Molybdenum Disulfide under Direct Out-of-Plane Compression: Low-Stress Band-Gap Engineering
journal, April 2015


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Exciton band structure of monolayer MoS 2
journal, February 2015


k · p theory for two-dimensional transition metal dichalcogenide semiconductors
journal, April 2015


Direct Imaging of Band Profile in Single Layer MoS 2 on Graphite: Quasiparticle Energy Gap, Metallic Edge States, and Edge Band Bending
journal, April 2014

  • Zhang, Chendong; Johnson, Amber; Hsu, Chang-Lung
  • Nano Letters, Vol. 14, Issue 5
  • DOI: 10.1021/nl501133c

Two-dimensional atomic crystals
journal, July 2005

  • Novoselov, K. S.; Jiang, D.; Schedin, F.
  • Proceedings of the National Academy of Sciences, Vol. 102, Issue 30, p. 10451-10453
  • DOI: 10.1073/pnas.0502848102

Mechanical and electronic properties of monolayer MoS2 under elastic strain
journal, February 2012


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


Optical Spectrum of MoS 2 : Many-Body Effects and Diversity of Exciton States
journal, November 2013


Absorption of light by excitons and trions in monolayers of metal dichalcogenide Mo S 2 : Experiments and theory
journal, May 2014


Mobility engineering and a metal–insulator transition in monolayer MoS2
journal, June 2013

  • Radisavljevic, Branimir; Kis, Andras
  • Nature Materials, Vol. 12, Issue 9
  • DOI: 10.1038/nmat3687

Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
journal, June 2006

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 124, Issue 21
  • DOI: 10.1063/1.2204597

MoS 2 and semiconductors in the flatland
journal, January 2015


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


Ground State of the Electron Gas by a Stochastic Method
journal, August 1980


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


Tunneling properties versus electronic structures in Si/SiO 2 /Si junctions from first principles
journal, July 2013


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Electronic Structure of Epitaxial Single-Layer MoS 2
journal, January 2015


Bandgap Engineering of Strained Monolayer and Bilayer MoS2
journal, July 2013

  • Conley, Hiram J.; Wang, Bin; Ziegler, Jed I.
  • Nano Letters, Vol. 13, Issue 8, p. 3626-3630
  • DOI: 10.1021/nl4014748

Effect of monolayer supports on the electronic structure of single-layer MoS 2
journal, March 2015

  • Ramirez-Torres, Alfredo; Le, Duy; Rahman, Talat S.
  • IOP Conference Series: Materials Science and Engineering, Vol. 76
  • DOI: 10.1088/1757-899X/76/1/012011

The valley Hall effect in MoS2 transistors
journal, June 2014


Large conduction band and Fermi velocity spin splitting due to Coulomb interactions in single-layer MoS 2
journal, November 2014


Momentum dependence of spin–orbit interaction effects in single-layer and multi-layer transition metal dichalcogenides
journal, November 2014


A generic tight-binding model for monolayer, bilayer and bulk MoS 2
journal, May 2013

  • Zahid, Ferdows; Liu, Lei; Zhu, Yu
  • AIP Advances, Vol. 3, Issue 5
  • DOI: 10.1063/1.4804936

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide
journal, May 2014

  • Nayak, Avinash P.; Bhattacharyya, Swastibrata; Zhu, Jie
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms4731

Single-layer MoS2 transistors
journal, January 2011

  • Radisavljevic, B.; Radenovic, A.; Brivio, J.
  • Nature Nanotechnology, Vol. 6, Issue 3, p. 147-150
  • DOI: 10.1038/nnano.2010.279

Monolayer MoS 2 : Trigonal warping, the Γ valley, and spin-orbit coupling effects
journal, July 2013


2-Dimensional Transition Metal Dichalcogenides with Tunable Direct Band Gaps: MoS 2(1-x) Se 2x Monolayers
journal, December 2013


Electronic structure of two-dimensional crystals from ab initio theory
journal, March 2009