Tunable electronic structures in BP/MoSSe van der Waals heterostructures by external electric field and strain
Source abstract
Abstract
Abstract Motivated by the successful preparations and extraordinary properties of blue phosphorus (BP) and Janus MoSSe monolayer, we constructed the van der Waals (vdW) heterostructures composed of BP and Janus MoSSe monolayer denoted by BP-SMoSe and BP-SeMoS, respectively, investigated their electronic structures and the effects of external electric field and strain. We find that the BP-SMoSe vdW heterostructure exhibits type-I band alignment, while the BP-SeMoS vdW heterostructure shows type-II band alignment. Moreover, the bandgap and band alignment of BP-SMoSe and BP-SeMoS vdW heterostructures can be tuned effectively by applying external electric field and strain. The results indicate that these BP/MoSSe vdW heterostructures will have great applications in multi-functional device.
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Research context
OpenAlex topics: 2D Materials and Applications · Perovskite Materials and Applications · MXene and MAX Phase Materials
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References (90)
Show source-provided references
1. Electric field effect in atomically thin carbon films10.1126/science.1102896 ↗
2. Thermoelectric and magnetothermoelectric transport measurements of graphene10.1103/PhysRevLett.102.096807 ↗
3. The electronic properties of graphene10.1103/RevModPhys.81.109 ↗
4. Large-scale pattern growth of graphene films for stretchable transparent electrodes10.1038/nature07719 ↗
5. Graphene-based flexible and stretchable electronics10.1002/adma.201504245 ↗
6. M.S. Jang, H. Kim, Y.W. Son, H.A. Atwater, W.A. Goddard, III, Graphene field effect transistor without an energy gap, Proc. Natl. Acad. Sci. USA 110 (2013) 8786–8789.10.1073/pnas.1305416110 ↗
7. Direct-bandgap properties and evidence for ultraviolet lasing of hexagonal boron nitride single crystal10.1038/nmat1134 ↗
8. Synthesis of few-layer hexagonal boron nitride thin film by chemical vapor deposition10.1021/nl1023707 ↗
9. Two-dimensional nanosheets produced by liquid exfoliation of layered materials10.1126/science.1194975 ↗
10. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides10.1038/nnano.2012.193 ↗
11. Phosphorene: an unexplored 2D semiconductor with a high hole mobility10.1021/nn501226z ↗
12. Black phosphorus field-effect transistors10.1038/nnano.2014.35 ↗
13. Robust type-II band alignment in Janus-MoSSe bilayer with extremely long carrier lifetime induced by the intrinsic electric field10.1103/PhysRevB.99.115316 ↗
14. Effects of electric field on the electronic structures of broken-gap phosphorene/SnX2 (X = S, se) van der Waals heterojunctions10.1103/PhysRevApplied.10.054064 ↗
15. Experimental observation of type-I energy band alignment in lattice-matched Ge1-x-ySixSny/Ge heterostructures10.1063/1.4941991 ↗
16. Evidence of type-II band alignment in III-nitride semiconductors: experimental and theoretical investigation for In 0.17 Al 0.83 N/GaN heterostructures10.1038/srep06521 ↗
17. Vertical strain and electric field tunable electronic properties of type-II band alignment C2N/InSe van der Waals heterostructure10.1016/j.cplett.2018.12.027 ↗
18. Van der Waals broken-gap p-n heterojunction tunnel diode based on black phosphorus and rhenium disulfide10.1021/acsami.8b22103 ↗
19. Atomically thin quantum light-emitting diodes10.1038/ncomms12978 ↗
20. Light-emitting diodes by band-structure engineering in van der Waals heterostructures10.1038/nmat4205 ↗
21. Room-temperature operation of 3.26 um GaSb-based type-I lasers with quinternary AlGaInAsSb barriers10.1063/1.2140875 ↗
22. Room-temperature operation of an electrically driven terahertz modulator10.1063/1.1723689 ↗
23. Device physics of van der Waals heterojunction solar cells10.1038/s41699-018-0049-3 ↗
24. Monolayer MoS2 heterojunction solar cells10.1021/nn502776h ↗
25. Ultrafast charge transfer in atomically thin MoS2/WS2 heterostructures10.1038/nnano.2014.167 ↗
26. B. Amin, N. Singh, U. Schwingenschloegl, Heterostructures of transition metal dichalcogenides, Phys. Rev. B 92 (2015) 075439.10.1103/PhysRevB.92.075439 ↗
27. A subthermionic tunnel field-effect transistor with an atomically thin channel10.1038/nature15387 ↗
28. Field-effect transistors built from all two-dimensional material components10.1021/nn501723y ↗
29. Tunable SnSe2/WSe2 heterostructure tunneling field effect transistor10.1002/smll.201701478 ↗
30. Photoexcitation dynamics in Janus-MoSSe/WSe2 heterobilayers: ab initio time-domain study10.1021/acs.jpclett.8b00903 ↗
31. Band structure engineering of SnS2/polyphenylene van der Waals heterostructure via interlayer distance and electric field10.1039/C8CP06332J ↗
32. Electronic and optical properties of van der Waals vertical heterostructures based on two-dimensional transition metal dichalcogenides: first-principles calculations10.1016/j.physleta.2019.01.060 ↗
33. First principles calculations of the geometric structures and electronic properties of van der Waals heterostructure based on graphene, hexagonal boron nitride and molybdenum diselenide10.1016/j.diamond.2018.07.010 ↗
34. Controlling the electronic properties of van der Waals heterostructures by applying electrostatic design10.1088/2053-1583/aabea6 ↗
35. First-principle study of electronic and optical properties of two-dimensional materials-based heterostructures based on transition metal dichalcogenides and boron phosphide10.1016/j.apsusc.2019.01.005 ↗
36. Modulation of the electronic properties of two-dimensional MoTe2/WSe2 heterostructure by electrical field10.1016/j.physe.2018.11.044 ↗
37. Stress engineering on the electronic and spintronic properties for a GaSe/HfSe2 van der Waals heterostructure10.7567/1882-0786/ab0247 ↗
38. Van der Waals heterostructures of P, BSe, and SiC monolayers10.1063/1.5082884 ↗
39. Theoretical design of blue phosphorene/arsenene lateral heterostructures with superior electronic properties10.1088/1361-6463/aac563 ↗
40. Tunable electronic structure of graphdiyne/MoS 2 van der Waals heterostructure10.1016/j.matlet.2018.06.038 ↗
41. Tuning the electronic structure of GeC/WS2 van der Waals heterostructure by electric field and strain: a first principles study10.1016/j.commatsci.2019.01.010 ↗
42. Epitaxial growth of single layer blue phosphorus: a new phase of two-dimensional phosphorus10.1021/acs.nanolett.6b01459 ↗
43. Half layer by half layer growth of a blue phosphorene monolayer on a GaN(001) substrate10.1103/PhysRevLett.118.046101 ↗
44. Semiconducting layered blue phosphorus: a computational study10.1103/PhysRevLett.112.176802 ↗
45. Electronic structures and carrier mobilities of blue phosphorus nanoribbons and nanotubes: a first-principles study10.1021/acs.jpcc.5b12112 ↗
46. Promising thermoelectric properties of phosphorenes10.1088/0957-4484/27/35/355705 ↗
47. Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations10.1088/2053-1583/3/3/035006 ↗
48. Theoretical prediction of anode materials in Li-ion batteries on layered black and blue phosphorus10.1021/jp512411g ↗
49. Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach10.1103/PhysRevB.92.081408 ↗
50. Dilute magnetic semiconductor and half-metal behaviors in 3d transition-metal doped black and blue Phosphorenes: a first-principles study10.1186/s11671-016-1296-x ↗
51. Electronic and optical properties of bilayer blue phosphorus10.1016/j.commatsci.2016.07.015 ↗
52. Electronic properties of blue phosphorene/graphene and blue phosphorene/graphene-like gallium nitride heterostructures10.1039/C7CP01852E ↗
53. Tunable electronic structure of black phosphorus/blue phosphorus van der Waals p-n heterostructure10.1063/1.4942368 ↗
54. Blue phosphorene/MS2 (M = Nb, Ta) heterostructures as promising flexible anodes for lithium-ion batteries10.1021/acsami.6b03368 ↗
55. Electric field tunable band-gap crossover in black(blue) phosphorus/g-ZnO van der Waals heterostructures10.1039/C7RA06097A ↗
56. Strain-mediated type-I/type-II transition in MXene/Blue phosphorene van der Waals heterostructures for flexible optical/electronic devices10.1039/C6TC04349F ↗
57. Efficient carrier separation in graphitic zinc oxide and blue phosphorus van der Waals heterostructure10.1021/acs.jpcc.6b12613 ↗
58. Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS2: a first principles calculation10.1016/j.jssc.2015.07.043 ↗
59. Electronic structures and enhanced optical properties of blue phosphorene/transition metal dichalcogenides van der Waals heterostructures
60. Janus monolayers of transition metal dichalcogenides10.1038/nnano.2017.100 ↗
61. Janus monolayer transition-metal dichalcogenides10.1021/acsnano.7b03186 ↗
62. A Janus MoSSe monolayer: a potential wide solar-spectrum water-splitting photocatalyst with a low carrier recombination rate10.1039/C7TA10015A ↗
63. Tunable electronic and optical properties of monolayer and multilayer Janus MoSSe as a Photocatalyst for solar water splitting: a first-principles study10.1021/acs.jpcc.8b00257 ↗
64. Tunable dipole and carrier mobility for a few layer Janus MoSSe structure10.1039/C7TC05225A ↗
65. Bandgap tuning in MoSSe bilayers: synergistic effects of dipole moment and interlayer distance10.1039/C8CP04208J ↗
66. Tunable dipole moment in Janus single-layer MoSSe via transition-metal atom adsorption10.1021/acs.jpcc.9b00421 ↗
67. Large in-plane and vertical piezoelectricity in Janus transition metal dichalchogenides10.1021/acsnano.7b03313 ↗
68. Theoretical prediction of Janus MoSSe as a potential anode material for lithium-ion batteries10.1021/acs.jpcc.8b07478 ↗
69. Electronic and optical properties of pristine and vertical and lateral heterostructures of Janus MoSSe and WSSe10.1021/acs.jpclett.7b02841 ↗
70. Graphene/MoXY heterostructures adjusted by interlayer distance, external electric field, and strain for tunable devices10.1021/acsanm.9b00871 ↗
71. Tuning the n-type contact of graphene on Janus MoSSe monolayer by strain and electric field10.1016/j.physe.2019.02.027 ↗
72. The mirror asymmetry induced nontrivial properties of polar WSSe/MoSSe heterostructures
73. Intrinsic electric field-induced properties in Janus MoSSe van der Waals structures10.1021/acs.jpclett.8b03463 ↗
74. Tunable interlayer coupling and Schottky barrier in graphene and Janus MoSSe heterostructures by applying an external field10.1039/C8CP04337J ↗
75. First principles study of the electronic properties and Schottky barrier in vertically stacked graphene on the Janus MoSeS under electric field10.1016/j.commatsci.2018.07.017 ↗
76. Ab initiomolecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
77. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
78. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
79. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
80. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
81. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
82. Dipole correction for surface supercell calculations10.1103/PhysRevB.59.12301 ↗
83. Accurate description of van der Waals complexes by density functional theory including empirical corrections10.1002/jcc.20078 ↗
84. Influence of the exchange screening parameter on the performance of screened hybrid functionals10.1063/1.2404663 ↗
85. A grid-based Bader analysis algorithm without lattice bias10.1088/0953-8984/21/8/084204 ↗
86. Theoretical predictions on the electronic structure and charge carrier mobility in 2D phosphorus sheets10.1038/srep09961 ↗
87. Electric field induced gap modification in ultrathin blue phosphorus10.1103/PhysRevB.91.115433 ↗
88. Two-dimensional n-InSe/p-GeSe(SnS) van der Waals heterojunctions: high carrier mobility and broadband performance10.1103/PhysRevB.97.115416 ↗
89. High-brightness InGaN blue, green and yellow light-emitting diodes with quantum well structures10.1143/JJAP.34.L797 ↗
90. Strain-engineered direct-indirect bandgap transition and its mechanism in two-dimensional phosphorene10.1103/PhysRevB.90.085402 ↗