Dirac Cones in Graphene, Interlayer Interaction in Layered Materials, and the Band Gap in MoS2
Source abstract
Abstract
The 2D outlook of graphene and similar layers has initiated a number of theoretical considerations of electronic structure that are both interesting and exciting, but applying these ideas to real layered systems, in terms of a model 2D system, must be done with extreme care. In the present review, we will discuss the applicability of the 2D concept with examples of peculiarities of electronic structures and interactions in particular layered systems: (i) Dirac points and cones in graphene; (ii) van der Waals interaction between MoS2 monolayers; and (iii) the issue of a 2D screening in estimates of the band gap for MoS2 monolayers.
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Research context
OpenAlex topics: Graphene research and applications · 2D Materials and Applications · MXene and MAX Phase Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Institute of Physics of National Academy of Sciences of Ukraine, Prospect Nauki 46, Kiev 03028, Ukraine
References (93)
Show source-provided references
1. Two-dimensional atomic crystals10.1073/pnas.0502848102 ↗
2. The rise of graphene10.1038/nmat1849 ↗
3. Graphene: Status and Prospects10.1126/science.1158877 ↗
4. The electronic properties of graphene10.1103/RevModPhys.81.109 ↗
5. Two-dimensional gas of massless Dirac fermions in graphene10.1038/nature04233 ↗
6. Graphene and its one-dimensional patterns: From basic properties towards applications10.1088/2043-6254/1/3/033001 ↗
7. Graphene on metal surfaces10.1016/j.susc.2008.08.037 ↗
8. Electronic structure of two-dimensional crystals from ab initio theory10.1103/PhysRevB.79.115409 ↗
9. Liquid Exfoliation of Layered Materials10.1126/science.1226419 ↗
10. Single-layer MoS2 transistors10.1038/nnano.2010.279 ↗
11. Atomically Thin MoS2: A New Direct-Gap Semiconductor10.1103/PhysRevLett.105.136805 ↗
12. Emerging photoluminescence in monolayer MoS210.1021/nl903868w ↗
13. Electronic structure of a quasi-freestanding MoS2 monolayer10.1021/nl4042824 ↗
14. Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS210.1103/PhysRevB.85.205302 ↗
15. Interlayer interaction and screening in MoS210.1142/S0218625X14500395 ↗
16. Recent Advancement on the Optical Properties of Two-Dimensional Molybdenum Disulfide (MoS2) Thin Films10.3390/photonics2010288 ↗
17. New Method for Calculating the One-Particle Green’s Function with Application to the Electron-Gas Problem10.1103/PhysRev.139.A796 ↗
18. The formation of an energy gap in graphene on ruthenium by controlling the interface10.1088/1367-2630/12/3/033014 ↗
19. Doping graphene with metal contacts10.1103/PhysRevLett.101.026803 ↗
20. Symmetry breaking in few layer graphene films10.1088/1367-2630/9/10/385 ↗
21. Controlling the electronic structure of bilayer graphene10.1126/science.1130681 ↗
22. Substrate-induced bandgap opening in epitaxial graphene10.1038/nmat2003 ↗
23. Skomski, R., Dowben, P.A., Sky Driver, M., and Kelber, J.A. (2014). Sublattice-induced symmetry breaking and bandgap formation in grapheme. Mater. Horiz.10.1039/C4MH00124A ↗
24. Effective mass and band gap of strained graphene10.1016/j.cap.2013.11.007 ↗
25. Edge state in graphene ribbons: Nanometer size effect and edge shape dependence10.1103/PhysRevB.54.17954 ↗
26. R-graphyne: A new two-dimensional carbon allotrope with versatile Dirac-like point in nanoribbons10.1039/c3ta00097d ↗
27. Gap opening in the surface electronic structure of graphite induced by adsorption of alkali atoms: Photoemission experiments and density functional calculations10.1103/PhysRevB.71.165430 ↗
28. DFT calculations of the electronic structure and interlayer interaction in the Li-intercalated graphene bilayer10.1142/S0218625X17500202 ↗
29. Epitaxial graphene on ruthenium10.1038/nmat2166 ↗
30. First principles study of the graphene/Ru(0001) interface10.1063/1.3077295 ↗
31. Band structure of Au layers on the Ru(0001) and graphene/Ru(0001) surfaces10.1140/epjb/e2012-20854-3 ↗
32. Electronic and magnetic properties of quasifreestanding graphene on Ni10.1103/PhysRevLett.101.157601 ↗
33. Dirac Cones and Minigaps for Graphene on Ir(111)10.1103/PhysRevLett.102.056808 ↗
34. Emergence of ferroelectricity and spin-valley properties in two-dimensional honeycomb binary compounds10.1103/PhysRevB.91.161401 ↗
35. Peierls, R.E. (1955). Quantum Theory of Solids, Clarendon Press.
36. Crystalline Order in Two Dimensions10.1103/PhysRev.176.250 ↗
37. Band Gap Opening by Two-Dimensional Manifestation of Peierls Instability in Graphene10.1021/nn1035894 ↗
38. Energy Gaps in Graphene Nanoribbons10.1103/PhysRevLett.97.216803 ↗
39. Peierls-Type Instability and Tunable Band Gap in Functionalized Graphene10.1103/PhysRevLett.105.086802 ↗
40. Gapless Peierls transition10.1103/PhysRevB.42.9162 ↗
41. Atomic wires
42. Metallicity of atomic wires10.1016/j.apsusc.2006.05.016 ↗
43. Quasiparticle transformation during a metal insulator transition in graphene10.1103/PhysRevLett.103.056404 ↗
44. First-principles study of electron linewidths in graphene
45. Origin of anomalous electronic structures of epitaxial graphene on silicon carbide10.1103/PhysRevLett.100.176802 ↗
46. Processes of adsorption and diffusion on solid surfaces10.1039/tf9322800333 ↗
47. The general theory of molecular forces10.1039/tf937330008b ↗
48. Stone, A.J. (1996). The Theory of Intermolecular Forces, Clarendon Press.10.1093/oso/9780198558842.001.0001 ↗
49. Van der Waals forces in density functional theory: A review of the vdW-DF method10.1088/0034-4885/78/6/066501 ↗
50. Density functional theory with London dispersion corrections10.1002/wcms.30 ↗
51. Van der Waals interactions between organic adsorbates and at organic/inorganic interfaces10.1557/mrs2010.581 ↗
52. Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory10.1063/1.4754130 ↗
53. van der Waals Interactions in Density-Functional Theory10.1103/PhysRevLett.76.102 ↗
54. Van der Waals Density Functional for General Geometries10.1103/PhysRevLett.92.246401 ↗
55. Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond10.1103/PhysRevB.76.125112 ↗
56. Understanding the role of vibrations, exact exchange, and many-body van der Waals interactions in the cohesive properties of molecular crystals10.1063/1.4812819 ↗
57. Including screening in van der Waals corrected density functional theory calculations: The case of atoms and small molecules physisorbed on graphene10.1063/1.4869330 ↗
58. Graphene on the Ir(111) surface: From van der Waals to strong bonding10.1088/1367-2630/12/11/113016 ↗
59. First-principles study of the interaction and charge transfer between graphene and metals10.1103/PhysRevB.79.195425 ↗
60. DFT Versus the “Real World” (or, Waiting for Godft)10.1007/s11244-010-9451-6 ↗
61. The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus10.1021/acs.nanolett.5b03615 ↗
62. Hydrogen-induced metallicity and strengthening of MoS210.1016/j.chemphys.2014.02.014 ↗
63. Metallization and stiffness of the Li-intercalated MoS2 bilayer10.1016/j.apsusc.2015.06.123 ↗
64. Band structure of the MoS2 bilayer with adsorbed and intercalated Na10.1002/pssb.201552397 ↗
65. Spin Splitting of an Au(111) Surface State Band Observed with Angle Resolved Photoelectron Spectroscopy10.1103/PhysRevLett.77.3419 ↗
66. Strong Spin-Orbit Splitting on Bi Surfaces10.1103/PhysRevLett.93.046403 ↗
67. Properties of a 2D electron gas with lifted spectral degeneracy
68. The Rashba-effect at metallic surfaces10.1016/j.susc.2006.01.098 ↗
69. Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors10.1103/PhysRevB.84.153402 ↗
70. Electronic structure and scanning-tunneling-microscopy image of molybdenum dichalcogenide surfaces10.1103/PhysRevB.51.17085 ↗
71. Direct Measurement of the Thickness-Dependent Electronic Band Structure of MoS2 Using Angle-Resolved Photoemmision Spectroscopy10.1103/PhysRevLett.111.106801 ↗
72. The problem of the band gap in LDA calculations10.1142/S0218625X07009499 ↗
73. Gradient expansion of the exchange-energy density functional: Effect of taking limits in the wrong order10.1103/PhysRevB.37.4634 ↗
74. Generalized Gradient Approximation Made Simple10.1103/PhysRevLett.77.3865 ↗
75. Influence of the thickness and surface composition on the electronic structure of FeS2 layers10.1016/j.apsusc.2016.03.188 ↗
76. Nonlocal approximation to the exchange potential and kinetic energy of an inhomogeneous electron gas10.1103/PhysRevB.17.3735 ↗
77. Descriptions of exchange and correlation effects in inhomogeneous electron systems10.1103/PhysRevB.20.3136 ↗
78. Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides10.1103/PhysRevB.86.115409 ↗
79. Optical spectrum of MoS2: Many-body effects and diversity of exciton states10.1103/PhysRevLett.111.216805 ↗
80. Observation of giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor10.1038/nmat4061 ↗
81. Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe2 Nanostructures10.1021/acs.nanolett.5b00160 ↗
82. Pelant, I., and Valenta, J. (2012). Luminescence Spectroscopy of Semiconductors, Oxford University Press.10.1093/acprof:oso/9780199588336.001.0001 ↗
83. Tightly bound trions in monolayer MoS210.1038/nmat3505 ↗
84. Bound states in optical absorption of semiconductor quantum wells containing a two-dimensional electron gas10.1103/PhysRevLett.84.187 ↗
85. Effects of confinement and environment on the electronic structure and exciton binding energy of MoS2 from first principles10.1103/PhysRevB.86.241201 ↗
86. Control of excitons in multi-layer van der Waals heterostructures10.1063/1.4943204 ↗
87. Layer specific optical band gap measurement at nanoscale in MoS2 and ReS2 van der Waals compounds by high resolution electron energy loss spectroscopy10.1063/1.4944431 ↗
88. Direct Imaging of Band Profile in Single Layer MoS2 on Graphite: Quasiparticle Energy Gap, Metallic Edge States, and Edge Band Bending10.1021/nl501133c ↗
89. Ultrafast Band Structure Control of a Two-Dimensional Heterostructure10.1021/acsnano.6b02622 ↗
90. Bandgap inhomogeneity of MoS2 monolayer on epitaxial graphene bilayer in van der Waals p-n junction10.1016/j.carbon.2016.09.041 ↗
91. Tuning the electronic structure of monolayer graphene/MoS2 van der Waals heterostructures via interlayer twist10.1103/PhysRevB.92.201409 ↗
92. Direct Observation of Interlayer Hybridization and Dirac Relativistic Carriers in Graphene/MoS2 van der Waals Heterostructures10.1021/nl504167y ↗
93. Band Alignment and Minigaps in Monolayer MoS2—Graphene van der Waals Heterostructures10.1021/acs.nanolett.6b00609 ↗