Recently, transition metal dichalcogenides (TMDCs) semiconductors have been utilized for investigating quantum phenomena because of their unique band structures and novel electronic properties. In a quantum dot (QD), electrons are confined in all lateral dimensions, offering the possibility for detailed investigation and controlled manipulation of individual quantum systems. Beyond the definition of graphene QDs by opening an energy gap in nanoconstrictions, with the presence of a bandgap, gate-defined QDs can be achieved on TMDCs semiconductors. In this paper, we review the confinement and transport of QDs in TMDCs nanostructures. The fabrication techniques for demonstrating two-dimensional (2D) materials nanostructures such as field-effect transistors and QDs, mainly based on e-beam lithography and transfer assembly techniques are discussed. Subsequently, we focus on electron transport through TMDCs nanostructures and QDs. With steady improvement in nanoscale materials characterization and using graphene as a springboard, 2D materials offer a platform that allows creation of heterostructure QDs integrated with a variety of crystals, each of which has entirely unique physical properties.
When electrons are confined in a two-dimensional (2D) system, typical quantum–mechanical phenomena such as Landau quantization can be detected. Graphene systems, including the single atomic layer and few-layer stacked crystals, are ideal 2D materials for studying a variety of quantum–mechanical problems. In this article, we review the experimental progress in the unusual Landau quantized behaviors of Dirac fermions in monolayer and multilayer graphene by using scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). Through STS measurement of the strong magnetic fields, distinct Landau-level spectra and rich level-splitting phenomena are observed in different graphene layers. These unique properties provide an effective method for identifying the number of layers, as well as the stacking orders, and investigating the fundamentally physical phenomena of graphene. Moreover, in the presence of a strain and charged defects, the Landau quantization of graphene can be significantly modified, leading to unusual spectroscopic and electronic properties.
Weak-localization (WL) measurements were performed in a Bi cluster-decorated graphene sheet. The charge concentration was kept constant, and the amplitude of the conductance correction was suppressed after the Bi-cluster deposition. Detailed WL data were obtained while the gate and temperature were changed. Using E. McCann’s formula, the spin-relaxation time was extracted, which was found to increase with the elastic scattering time. This is attributed to the Elliott–Yafet spin relaxation and Kane–Mele type spin–orbit coupling (SOC). The SOC strength was enhanced to 2.64 meV as a result of the first deposition. The coverage effect is discussed according to the measurement after the second deposition.
Using first-principles calculations based on density functional theory and the nonequilibrium Green’s function formalism, we studied the spin transport through metal-phthalocyanine (MPc, M=Ni, Fe, Co, Mn, Cr) molecules connected to aurum nanowire electrodes. We found that the MnPc, FePc, and CrPc molecular devices exhibit a perfect spin filtering effect compared to CoPc and NiPc. Moreover, negative differential resistance appears in FePc molecular devices. The transmission coefficients at different bias voltages were further presented to understand this phenomenon. These results would be useful in designing devices for future nanotechnology.
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This paper presents a comprehensive review of the wave-function approach for derivation of the numberresolved Master equations, used for description of transport and measurement in mesoscopic systems. The review contains important amendments, clarifying subtle points in derivation of the Master equations and their validity. This completes the earlier works on the subject. It is demonstrated that the derivation does not assume weak coupling with the environment and reservoirs, but needs only high bias condition. This condition is very essential for validity of the Markovian Master equations, widely used for a phenomenological description of different physical processes.
The low conductance of nickel atomic junctions in the hydrogen environment is studied using the nonequilibrium Green’s function theory combined with first-principles calculations. The Ni junction bridged by a H2 molecule has a conductance of approximately 0.7 G0. This conductance is contributed by the anti-bonding state of the H2 molecule, which forms a bonding state with the 3d orbitals of the nearby Ni atoms. In contrast, the Ni junction bridged by the two single H atoms has a conductance of approximately 1 G0, which is weakly spin-polarized. The spin-up channels were found to contribute mostly to the conductance at a small junction gap, while the spin-down channels play a dominant role at a larger junction gap.
We report an extensive first-principles investigation of impurity-induced device-to-device variability of spin-polarized quantum tunneling through Fe/MgO/Fe magnetic tunnel junctions (MTJ). In particular, we calculated the tunnel magnetoresistance ratio (TMR) and the average values and variances of the currents and spin transfer torque (STT) of an interfacially doped Fe/MgO/Fe MTJ. Further, we predicted that N-doped MgO can improve the performance of a doped Fe/MgO/Fe MTJ. Our firstprinciples calculations of the fluctuations of the on/off currents and STT provide vital information for future predictions of the long-term reliability of spintronic devices, which is imperative for high-volume production.
In this review article, we present a non-equilibrium quantum transport theory for transient electron dynamics in nanodevices based on exact Master equation derived with the path integral method in the fermion coherent-state representation. Applying the exact Master equation to nanodevices, we also establish the connection of the reduced density matrix and the transient quantum transport current with the Keldysh nonequilibrium Green functions. The theory enables us to study transient quantum transport in nanostructures with back-reaction effects from the contacts, with non-Markovian dissipation and decoherence being fully taken into account. In applications, we utilize the theory to specific quantum transport systems, a variety of quantum decoherence and quantum transport phenomena involving the non-Markovian memory effect are investigated in both transient and stationary scenarios at arbitrary initial temperatures of the contacts.
First-principles calculations were performed to explore the spin-resolved electronic and thermoelectric transport properties of a series of graphene-nanoribbon-based nanojunctions. By flipping the magnetic moments in graphene leads from parallel to antiparallel, very large tunneling magnetoresistance can be obtained under different gate voltages for all the structures. Spin-resolved alternating-current conductance increases versus frequency for the short nanojunctions but decreases for the long nanojunctions. With increasing junction length, the behavior of the junctions changes from capacitive-like to inductive-like. Because of the opposite signs of spin-up thermopower and spin-down thermopower near the Fermi level, pure spin currents can be obtained and large figures of merit can be achieved by adjusting the gate voltage and chemical potential for all the nanojunctions.
We study the electron transport through the double-barrier junction consisted of the phthalocyanine molecule adsorbed on a NaCl bilayer on a metal substrate and the STM tip from first principles. The hydrogen tautomerization reaction happened in the molecule changes the spatial extensions of the molecular π orbitals under the tip, leading to junction conductance switching. Shifting the molecule to locate on different ions also varies the conductance. The transport channels of the tautomers on different adsorbed sites are identified.