Modulating properties of graphene/h-BN heterostructures by applying strain or external electric fields: an insight into first-principles calculations
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OpenAlex topics: Graphene research and applications · Boron and Carbon Nanomaterials Research · 2D Materials and Applications
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References (76)
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1. The rise and rise of graphene, Nat. Nanotechnol. 5 (2010) 755. doi: 10.1038/nnano.2010.224.10.1038/nnano.2010.224 ↗
2. A review on graphene and its derivatives as the forerunner of the two-dimensional material family for the future10.1007/s10853-022-07346-x ↗
3. Structure, properties and applications of two-dimensional hexagonal boron nitride10.1002/adma.202101589 ↗
4. Band gaps in incommensurable graphene on hexagonal boron nitride10.1103/PhysRevB.89.201404 ↗
5. Why the band gap of graphene is tunable on hexagonal boron nitride10.1021/jp2106988 ↗
6. Van der Waals heterostructures10.1038/nature12385 ↗
7. 2D materials and van der Waals heterostructures10.1126/science.aac9439 ↗
8. h-BN/graphene van der Waals vertical heterostructure: a fully spin-polarized photocurrent generator10.1039/C7NR06159E ↗
9. Spin polarization and spin channel reversal in graphitic carbon nitrides on top of an alpha-Fe2O3(0001) surface10.1039/C8CP04223C ↗
10. A type-II GeSe/SnS heterobilayer with a suitable direct gap, superior optical absorption and broad spectrum for photovoltaic applications10.1039/C7TA02109G ↗
11. First-principles predication of facet-dependent electronic and optical properties in InSe/GaAs heterostructure with potential in solar energy utilization10.1016/j.jallcom.2020.155901 ↗
12. Van der Waals heterostructures for high-performance device applications: challenges and opportunities10.1002/adma.201903800 ↗
13. Type-I van der Waals heterostructure formed by MoS(2) and ReS(2) monolayers10.1039/C6NH00144K ↗
14. Ab initio and semi-empirical van der Waals study of graphene-boron nitride interaction from a molecular point of view10.1088/0953-8984/24/42/424214 ↗
15. Modification of the electronic properties of hexagonal boron-nitride in BN/graphene vertical heterostructures10.1088/2053-1583/3/4/045002 ↗
16. Light-emitting diodes by band-structure engineering in van der Waals heterostructures10.1038/nmat4205 ↗
17. High-responsivity graphene-boron nitride photodetector and autocorrelator in a silicon photonic integrated circuit10.1021/acs.nanolett.5b02368 ↗
18. Interface engineering for highly efficient graphene-on-silicon Schottky junction solar cells by introducing a hexagonal boron nitride interlayer10.1016/j.nanoen.2016.08.028 ↗
19. Far-field spectroscopy and near-field optical imaging of coupled plasmon-phonon polaritons in 2D van der Waals heterostructures10.1002/adma.201505765 ↗
20. Structural and elastic properties of hybrid bilayer graphene/h-BN with different interlayer distances using DFT10.1016/j.spmi.2014.04.017 ↗
21. Graphene, hexagonal boron nitride, and their heterostructures: properties and applications10.1039/C7RA00260B ↗
22. Electrical properties and applications of graphene, hexagonal boron nitride (h-BN), and graphene/h-BN heterostructures10.1016/j.mtphys.2017.07.001 ↗
23. Stacking order, perfect spin polarization, and giant magnetoresistance in zigzag graphene/h-BN heterobilayer nanoribbons10.1103/PhysRevApplied.19.034002 ↗
24. In situ strain tuning in hBN-encapsulated graphene electronic devices10.1021/acs.nanolett.9b01491 ↗
25. Strain engineering in 2D hBN and graphene with evaporated thin film stressors10.1063/5.0153935 ↗
26. Monolayer graphene/hexagonal boron nitride heterostructure10.1016/j.carbon.2012.11.054 ↗
27. Ferroelectric single-crystal gated graphene/hexagonal-BN/ferroelectric field-effect transistor10.1021/acsnano.5b04339 ↗
28. Probing the nanoscale origin of strain and doping in graphene-hBN heterostructures10.1088/2053-1583/aaf1dc ↗
29. Strain engineering of graphene's electronic structure10.1103/PhysRevLett.103.046801 ↗
30. Uniaxial Strain on Graphene: Raman Spectroscopy Study and Band-Gap opening10.1021/nn800459e ↗
31. G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Computational Materials Science, 6 (1996) 15-50. https://doi.org/Doi: 10.1016/0927-0256(96)00008-0.10.1016/0927-0256(96)00008-0 ↗
32. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium10.1103/PhysRevB.49.14251 ↗
33. N.A.W. Holzwarth, A.R. Tackett, G.E. Matthews, A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions, Computer Physics Communications, 135 (2001) 329–347. https://doi.org/Doi: 10.1016/S0010-4655(00)00244-7.10.1016/S0010-4655(00)00244-7 ↗
34. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)], Physical Review Letters, 78 (1997) 1396-1396. doi: 10.1103/PhysRevLett.78.1396.10.1103/PhysRevLett.78.1396 ↗
35. Screened hybrid density functionals applied to solids10.1063/1.2187006 ↗
36. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
37. Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets10.1063/1.4974840 ↗
38. Graphene-hexagonal boron nitride van der Waals heterostructures: an examination of the effects of different van der Waals corrections
39. V. Wang, N. Xu, J.-C. Liu, G. Tang, W.-T. Geng, VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code, Comput. Phys. Commun. 267 (2021) 108033. https://doi.org/Doi: 10.1016/j.cpc.2021.108033.10.1016/j.cpc.2021.108033 ↗
40. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
41. Two-dimensional van der Waals p-n junction of InSe/phosphorene10.1103/PhysRevB.95.195143 ↗
42. Theoretical design of BAs/WX2 (X=S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations10.1016/j.apsusc.2022.153865 ↗
43. Optical properties of two-dimensional honeycomb crystals graphene, silicene, germanene, and tinene from first principles10.1088/1367-2630/16/10/105007 ↗
44. Influence of out-of-plane response on optical properties of two-dimensional materials: first principles approach10.1103/PhysRevB.94.205408 ↗
45. The electronic properties of graphene10.1103/RevModPhys.81.109 ↗
46. The electronic properties of graphene and carbon nanotubes10.1038/asiamat.2009.1 ↗
47. Direct-bandgap properties and evidence for ultraviolet lasing of hexagonal boron nitride single crystal10.1038/nmat1134 ↗
48. Synthesis of few-layer hexagonal boron nitride thin film by chemical vapor deposition10.1021/nl1023707 ↗
49. Large scale growth and characterization of atomic hexagonal boron nitride layers10.1021/nl1022139 ↗
50. Substrate-induced band gap in graphene on hexagonal boron nitride:Ab initio density functional calculations
51. Emergence of superlattice Dirac points in graphene on hexagonal boron nitride10.1038/nphys2272 ↗
52. Commensurate–incommensurate transition in graphene on hexagonal boron nitride10.1038/nphys2954 ↗
53. Cross-sectional imaging of individual layers and buried interfaces of graphene-based heterostructures and superlattices10.1038/nmat3386 ↗
54. Graphene-hexagonal boron nitride van der Waals heterostructures: an examination of the effects of different van der Waals corrections10.1088/2053-1591/ac187d ↗
55. Heterostructures of graphene and hBN: electronic, spin-orbit, and spin relaxation properties from first principles10.1103/PhysRevB.99.125151 ↗
56. Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs10.1126/science.aad1080 ↗
57. Can Two-Dimensional Boron Superconduct?10.1021/acs.nanolett.6b00070 ↗
58. Elastic anisotropy measure for two-dimensional crystals10.1016/j.eml.2019.100615 ↗
59. Mechanical properties of graphene and boronitrene10.1103/PhysRevB.85.125428 ↗
60. Structural, electronic, vibrational, and elastic properties of graphene/MoS2 bilayer heterostructures10.1103/PhysRevB.98.155309 ↗
61. Elasticity of hexagonal boron nitride: Inelastic x-ray scattering measurements10.1103/PhysRevB.73.041402 ↗
62. Nonlinear elastic behavior of graphene:Ab initiocalculations to continuum description10.1103/PhysRevB.80.205407 ↗
63. Giant tunability in electrical contacts and doping via inconsiderable normal electric field strength or gating for a high-performance in ultrathin field effect transistors based on 2D BX/graphene (X = P, As) van der Waals heterobilayer10.1016/j.apsusc.2020.146749 ↗
64. H. Behera, G. Mukhopadhyay, Strain-tunable band gap in graphene/h-BN hetero-bilayer, J. Phys. Chem. Solids 73 (2012) 818–821. https://doi.org/Doi: 10.1016/j.jpcs.2012.02.010.10.1016/j.jpcs.2012.02.010 ↗
65. Highly accurate determination of heterogeneously stacked Van-der-Waals materials by optical microspectroscopy10.1038/s41598-020-70580-3 ↗
66. Anomalous optical response of graphene on hexagonal boron nitride substrates10.1038/s42005-023-01129-9 ↗
67. Strain engineering of 2D semiconductors and graphene: from strain fields to band-structure tuning and photonic applications10.1038/s41377-020-00421-5 ↗
68. Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)10.1103/PhysRevB.46.16067 ↗
69. Effect of electric field on the band structure of graphene/boron nitride and boron nitride/boron nitride bilayers10.1063/1.3679174 ↗
70. Hexagonal boron nitride nanophotonics: a record-breaking material for the ultraviolet and visible spectral ranges10.1039/D3MH00215B ↗
71. Optical, photonic and optoelectronic properties of graphene, h-BN and their hybrid materials10.1515/nanoph-2017-0015 ↗
72. Optical advantages of graphene on the boron nitride in visible and SW-NIR regions10.1039/C6RA24588A ↗
73. Phonon-assisted Interfacial Charge transfer Excitons in Graphene/h-BN van der Waals Heterostructures10.1016/j.cjph.2021.12.030 ↗
74. Stacking nature and band gap opening of graphene: Perspective for optoelectronic applications10.1016/j.ssc.2016.07.005 ↗
75. Enhanced Light–Matter Interaction in Graphene/h-BN van der Waals Heterostructures10.1021/acs.jpclett.7b00357 ↗
76. Structural, electronic, and optical properties of periodic graphene/h-BN van der Waals heterostructures