Heterostacks consisting of low-dimensional materials are attractive candidates for future electronic nanodevices in the post-silicon era. In this paper, using first-principles calculations based on density functional theory (DFT), we explore the structural and electronic properties of MoTe 2 /ZrS 2 heterostructures with various stacking patterns and thicknesses. Our simulations show that the valence band (VB) edge of MoTe 2 is almost aligned with the conduction band (CB) edge of ZrS 2 , and (MoTe 2 ) m /(ZrS 2 ) m (m = 1, 2) heterostructures exhibit the long-sought broken gap band alignment, which is pivotal for realizing tunneling transistors. Electrons are found to spontaneously flow from MoTe 2 to ZrS 2 , and the system resembles an ultrascaled parallel plate capacitor with an intrinsic electric field pointed from MoTe 2 to ZrS 2 . The effects of strain and external electric fields on the electronic properties are also investigated. For vertical compressive strains, the charge transfer increases due to the decreased coupling between the layers, whereas tensile strains lead to the opposite behavior. For negative electric fields a transition from the type-III to the type-II band alignment is induced. In contrast, by increasing the positive electric fields, a larger overlap between the valence and conduction bands is observed, leading to a larger band-to-band tunneling (BTBT) current. Low-strained heterostructures with various rotation angles between the constituent layers are also considered. We find only small variations in the energies of the VB and CB edges with respect to the Fermi level, for different rotation angles up to 30°. Overall, our simulations offer insights into the fundamental properties of low-dimensional heterostructures and pave the way for their future application in energy-efficient electronic nanodevices.
Graphene quantum Hall effect (QHE) resistance standards have the potential to provide superior realizations of three key units in the new International System of Units (SI): the ohm, the ampere, and the kilogram (Kibble Balance). However, these prospects require different resistance values than practically achievable in single graphene devices (~12.9 kΩ), and they need bias currents two orders of magnitude higher than typical breakdown currents IC ~ 100 μA. Here we present experiments on quantization accuracy of a 236-element quantum Hall array (QHA), demonstrating RK/236 ≈ 109 Ω with 0.2 part-per-billion (nΩ/Ω) accuracy with IC ≥ 5 mA (~1 nΩ/Ω accuracy for IC = 8.5 mA), using epitaxial graphene on silicon carbide (epigraphene). The array accuracy, comparable to the most precise universality tests of QHE, together with the scalability and reliability of this approach, pave the road for wider use of graphene in the new SI and beyond.
We report a reliable and scalable fabrication method for producing electrical contacts to two-dimensional (2D) materials based on the tri-layer resist system. We demonstrate the applicability of this method in devices fabricated on epitaxial graphene on silicon carbide (epigraphene) used as a scalable 2D material platform. For epigraphene, data on nearly 70 contacts result in median values of the one-dimensional (1D) specific contact resistances ρ c ∼ 67 Ω•μm and follow the Landauer quantum limit ρ c ∼ n −1/2 , consistently reaching values ρ c < 50 Ω•μm at high carrier densityn. As a proof of concept, we apply the same fabrication method to the transition metal dichalcogenide (TMDC) molybdenum disulfide (MoS 2 ). Our edge contacts enable MoS 2 field-effect transistor (FET) behavior with an ON/OFF ratio of >10 6 at room temperature (>10 9 at cryogenic temperatures). The fabrication route demonstrated here allows for contact metallization using thermal evaporation and also by sputtering, giving an additional flexibility when designing electrical interfaces, which is key in practical devices and when exploring the electrical properties of emerging materials.
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