journal article·2024-04-22Open access

Ultrashort channel MoSe2 transistors with selenium atoms replaced at the interface: first-principles quantum-transport study

Chih-Hung Chung, Ting-Yu Chen, Chiung-Yuan Lin, Huang-Wei Chien

Nanotechnology· Volume 35· Issue 17

Abstract

Abstract Realizing n- and p-type transition metal dichalcogenide (TMD)-based field-effect transistors for nanoscale complementary metal oxide semiconductor (CMOS) applications remains challenging owing to undesirable contact resistance. Quantumtransport calculations were performed by replacing single-sided Se atoms of TMD near the interface with As or Br atoms to further improve the contact resistance. Here, partial selenium replacement produced a novel interface with a segment of metamaterial MoSeX (Pt/MoSeX/MoSe2; X = As, Br). Such stable metamaterials exhibit semi-metallicity, and the contact resistance can be thus lowered. Our findings provide insights into the potential of MoSe2-based nano-CMOS logic devices.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: 2D Materials and Applications · Graphene research and applications · Nanowire Synthesis and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (63)

Show source-provided references
1. The impact of gate-induced drain leakage current on MOSFET scaling10.1109/IEDM.1987.191531 ↗
2. VLSI limitations from drain-induced barrier lowering10.1109/JSSC.1979.1051189 ↗
3. CMOS design near the limit of scaling10.1147/rd.462.0213 ↗
4. Two-dimensional transition metal dichalcogenides as atomically thin semiconductors: opportunities and challenges10.1039/C5CS00507H ↗
5. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides10.1038/nnano.2012.193 ↗
6. Emerging device applications for semiconducting two-dimensional transition metal dichalcogenides10.1021/nn500064s ↗
7. Electronics based on two-dimensional materials10.1038/nnano.2014.207 ↗
8. Nanomaterials in transistors: from high-performance to thin-film applications10.1126/science.aab2750 ↗
9. Single-layer MoS2 transistors10.1038/nnano.2010.279 ↗
10. Contacting and gating 2D nanomaterials10.1109/TED.2018.2865642 ↗
11. High mobility MoS2 transistor with low Schottky barrier contact by using atomic thick h-BN as a tunneling layer10.1002/adma.201602757 ↗
12. How 2D semiconductors could extend Moore’s law10.1038/d41586-019-00793-8 ↗
13. Ohmic contact engineering for two-dimensional materials10.1016/j.xcrp.2020.100298 ↗
14. Approaching the Schottky–Mott limit in van der Waals metal–semiconductor junctions10.1038/s41586-018-0129-8 ↗
15. Electrical contacts to two-dimensional semiconductors10.1038/nmat4452 ↗
16. Computational study of metal contacts to monolayer transition-metal dichalcogenide semiconductors10.1103/PhysRevX.4.031005 ↗
17. Where does the current flow in two-dimensional layered systems?10.1021/nl401831u ↗
18. Switching mechanism in single-layer molybdenum disulfide transistors: an insight into current flow across Schottky barriers10.1021/nn405916t ↗
19. Study on the resistance distribution at the contact between molybdenum disulfide and metals10.1021/nn503152r ↗
20. Contact engineering for 2D materials and devices10.1039/C7CS00828G ↗
21. One-dimensional edge contacts to two-dimensional transition-metal dichalcogenides: uncovering the role of Schottky-barrier anisotropy in charge transport across MoS2/metal interfaces10.1103/PhysRevApplied.15.064068 ↗
22. Atomically thin ohmic edge contacts between two-dimensional materials10.1021/acsnano.6b02879 ↗
23. Electron transport through metal/MoS2 interfaces: edge-or area-dependent process?10.1021/acs.nanolett.9b00678 ↗
24. One-dimensional edge contacts to a monolayer semiconductor10.1021/acs.nanolett.9b02166 ↗
25. Ultralow specific contact resistivity in metal–graphene junctions via contact engineering10.1002/admi.201801285 ↗
26. Advancing 2D monolayer CMOS through contact, channel and interface engineering10.1109/IEDM19574.2021.9720651 ↗
27. First demonstration of WSe2 based CMOS-SRAM10.1109/IEDM.2018.8614572 ↗
28. Non-degenerate n-type doping by hydrazine treatment in metal work function engineered WSe2 field-effect transistor10.1088/0957-4484/26/45/455203 ↗
29. Air stable n-doping of WSe2 by silicon nitride thin films with tunable fixed charge density10.1063/1.4891824 ↗
30. Degenerate n-doping of few-layer transition metal dichalcogenides by potassium10.1021/nl400044m ↗
31. Chlorine doping of MoSe2 flakes by ion implantation10.1039/D0NR08935D ↗
32. Charge transfer doping with an organic layer to achieve a high-performance p-type WSe2 transistor10.1039/D1TC01780B ↗
33. A novel contact engineering method for transistors based on two-dimensional materials10.1016/j.jmst.2020.05.079 ↗
34. Janus two-dimensional transition metal dichalcogenides10.1063/5.0095203 ↗
35. Plasma-assisted selenization of monolayer MoS2 to form janus MoSSe for high-yield production
36. Scalable synthesis of highly crystalline MoSe2 and its ambipolar behavior10.1021/acsami.7b10693 ↗
37. n-type doping effect of CVD-grown multilayer MoSe2 thin film transistors by two-step functionalization10.1002/aelm.201800308 ↗
38. Thermally driven crossover from indirect toward direct bandgap in 2D semiconductors: MoSe2 versus MoS210.1021/nl302584w ↗
39. Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe210.1038/nnano.2013.277 ↗
40. Electronic structure of transition metal dichalcogenides monolayers 1H-MX2 (M = Mo, W; X = S, Se, Te) from ab-initio theory: new direct band gap semiconductors10.1140/epjb/e2012-30070-x ↗
41. Bandgap renormalization and work function tuning in MoSe2/hBN/Ru (0001) heterostructures10.1038/ncomms13843 ↗
42. Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor10.1038/nmat4061 ↗
43. Electronic properties of bulk and monolayer TMDs: theoretical study within DFT framework (GVJ-2e method)10.1002/pssa.201700218 ↗
44. Improved current density and contact resistance in bilayer MoSe2 field effect transistors by AlO x capping10.1021/acsami.0c09541 ↗
45. Engineering efficient p-type TMD/metal contacts using fluorographene as a buffer layer10.1002/aelm.201600318 ↗
46. P-type electrical contacts for 2D transition-metal dichalcogenides10.1038/s41586-022-05134-w ↗
47. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
48. Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
49. Ab initio modeling of quantum transport properties of molecular electronic devices10.1103/PhysRevB.63.245407 ↗
50. Ab initio modeling of open systems: charge transfer, electron conduction, and molecular switching of a C60 device10.1103/PhysRevB.63.121104 ↗
51. Ab initio simulation of magnetic tunnel junctions10.1088/0957-4484/18/42/424026 ↗
52. Ab initio molecular dynamics for open-shell transition metals10.1103/PhysRevB.48.13115 ↗
53. Theory of the crystal structures of selenium and tellurium: the effect of generalized-gradient corrections to the local-density approximation10.1103/PhysRevB.50.13181 ↗
54. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
55. Quantum transport modeling from first principles10.1109/JPROC.2012.2197810 ↗
56. The convergence energy and force criterions are set to 10−4 eV and 0.05 eV/Å, respectively. For all geometry structures. The cut-off energy of the plane-wave basis is 350eV. The Brillouin zone consists of a 1 × 10 × 1 k-point grid
57. The electron temperature is set at 300 K for quantum transport calculation. The cut-off energy is 80Hartree. A 1 × 10 × 1 k-point grid is adopted for the central region in the x-, y-, and z-direction
58. A 27-atom 3 × 3 × 1 supercell is used with a time step of 1fs for 10ps duration. A Nose–Hoover thermostat is used
59. Design and analysis of double gate MOSFET devices using high-k dielectric
60. Introducing 2D-FETs in device scaling roadmap using DTCO10.1109/IEDM13553.2020.9371906 ↗
61. WS2 transistors with sulfur atoms being replaced at the interface: first-principles quantum-transport study10.1021/acsomega.2c08275 ↗
62. Absence of a band gap at the interface of a metal and highly doped monolayer MoS210.1021/acs.nanolett.7b01986 ↗
63. On the physics of metal-semiconductor interfaces10.1088/0034-4885/53/3/001 ↗