Ultrathick MA2_2N4_4(M'N) Intercalated Monolayers with Sublayer-Protected Fermi Surface Conduction States: Interconnect and Metal Contact Applications

Recent discovery of ultrathick $\mathrm{MoSi_2N_4(MoN)_n}$ monolayers open up an exciting platform to engineer 2D material properties via intercalation architecture. Here we computationally investigate a series of ultrathick MA$_2$N$_4$(M'N) monolayers (M, M' = Mo, W; A = Si, Ge) under both homolayer and heterolayer intercalation architectures in which the same and different species of transition metal nitride inner core layers are intercalated by outer passivating nitride sublayers, respectively. The MA$_2$N$_4$(M'N) monolayers are thermally, dynamically and mechanically stable with excellent mechanical strength and metallic properties. Intriguingly, the metallic states around Fermi level are localized within the inner core layers. Carrier conduction mediated by electronic states around the Fermi level is thus spatially insulated from the external environment by the native outer nitride sublayers, suggesting the potential of MA$_2$N$_4$(M'N) in back-end-of-line (BEOL) metal interconnect applications. Nitrogen vacancy defect at the outer sublayers creates `punch through' states around the Fermi level that bridges the carrier conduction in the inner core layers and the outer environment, forming a electrical contact akin to the `vias' structures of metal interconnects. We further show that MoSi$_2$N$_4$(MoN) can serve as a quasi-Ohmic contact to 2D WSe$_2$. These findings reveal the promising potential of ultrathick MA$_2$N$_4$(MN) monolayers as metal electrodes and BEOL interconnect applications.Comment: 13 pages, 7 figures, 3 table

MA2_2Z4_4 Family Heteorstructures: Promises and Prospects

Recent experimental synthesis of ambient-stable MoSi2N4 monolayer have garnered enormous research interests. The intercalation morphology of MoSi2N4 - composed of a transition metal nitride (Mo-N) inner sub-monolayer sandwiched by two silicon nitride (Si-N) outer sub-monolayers - have motivated the computational discovery of an expansive family of synthetic MA2Z4 monolayers with no bulk (3D) material counterpart (where M = transition metals or alkaline earth metals; A = Si, Ge; and N = N, P, As). MA2Z4 monolayers exhibit interesting electronic, magnetic, optical, spintronic, valleytronic and topological properties, making them a compelling material platform for next-generation device technologies. Furthermore, heterostructure engineering enormously expands the opportunities of MA2Z4. In this review, we summarize the recent rapid progress in the computational design of MA2Z4-based heterostructures based on first-principle density functional theory (DFT) simulations - a central \emph{work horse} widely used to understand the physics, chemistry and general design rules for specific targeted functions. We systematically classify the MA2Z4-based heterostructures based on their contact types, and review their physical properties, with a focus on their performances in electronics, optoelectronics and energy conversion applications. We review the performance and promises of MA2Z4-based heterostructures for device applications that include electrical contacts, transistors, spintronic devices, photodetectors, solar cells, and photocatalytic water splitting. This review unveils the vast device application potential of MA2Z4-based heterostructures, and paves a roadmap for the future experimental and theoretical development of MA2Z4-based functional heterostructures and devices.Comment: 32 pages, 15 figure

Redox-dependent Franck–Condon blockade and Avalanche Transport in a Graphene–Fullerene single-molecule transistor

We report transport measurements on a graphene–fullerene single-molecule transistor. The device architecture where a functionalized C60 binds to graphene nanoelectrodes results in strong electron–vibron coupling and weak vibron relaxation. Using a combined approach of transport spectroscopy, Raman spectroscopy, and DFT calculations, we demonstrate center-of-mass oscillations, redox-dependent Franck–Condon blockade, and a transport regime characterized by avalanche tunnelling in a single-molecule transistor

Graphene-porphyrin single-molecule transistors

We demonstrate a robust graphene-molecule-graphene transistor architecture. We observe remarkably reproducible single electron charging, which we attribute to insensitivity of the molecular junction to the atomic configuration of the graphene electrodes. The stability of the graphene electrodes allow for high-bias transport spectroscopy and the observation of multiple redox states at room-temperature

Single layer MoS2 nanoribbon field effect transistor

10.1063/1.5079860APPLIED PHYSICS LETTERS114

Deep learning-enabled prediction of 2D material breakdown

10.1088/1361-6528/abd655NANOTECHNOLOGY322

Conductance enlargement in picoscale electroburnt graphene nanojunctions

Provided the electrical properties of electroburnt graphene junctions can be understood and controlled, they have the potential to underpin the development of a wide range of future sub-10-nm electrical devices. We examine both theoretically and experimentally the electrical conductance of electroburnt graphene junctions at the last stages of nanogap formation. We account for the appearance of a counterintuitive increase in electrical conductance just before the gap forms. This is a manifestation of room-temperature quantum interference and arises from a combination of the semimetallic band structure of graphene and a cross-over from electrodes with multiple-path connectivity to single-path connectivity just before breaking. Therefore, our results suggest that conductance enlargement before junction rupture is a signal of the formation of electroburnt junctions, with a picoscale current path formed from a single sp2 bond

Back Cover: Toward Valley‐Coupled Spin Qubits (Adv. Quantum Technol. 6/2020)

10.1002/qute.202070063Advanced Quantum Technologies362070063-207006

Toward Valley‐Coupled Spin Qubits

10.1002/qute.201900123Advanced Quantum Technologies3