Real-space anisotropy of the superconducting gap in the charge-density wave material 2H-NbSe2

We present a scanning tunneling microscopy (STM) and ab-initio study of the anisotropic superconductivity of 2H-NbSe2 in the charge-density-wave (CDW) phase. Differential-conductance spectra show a clear double-peak structure, which is well reproduced by density functional theory simulations enabling full k- and real-space resolution of the superconducting gap. The hollow-centered (HC) and chalcogen-centered (CC) CDW patterns observed in the experiment are mapped onto separate van der Waals layers with different electronic properties. We identify the CC layer as the high-gap region responsible for the main STM peak. Remarkably, this region belongs to the same Fermi surface sheet that is broken by the CDW gap opening. Simulations reveal a highly anisotropic distribution of the superconducting gap within single Fermi sheets, setting aside the proposed scenario of a two-gap superconductivity. Our results point to a spatially localized competition between superconductivity and CDW involving the HC regions of the crystal.

Hydrogen-impurity-induced conductance peaks in constriction type Josephson junctions

We studied hydrogen (H) and deuterium (D) impurity effects of superconducting Josephson current flowing through the superconductor-constriction-superconductor Josephson junctions (ScS-JJ). When H or D impurities are adsorbed on the surface of the ScS-JJ prepared by niobium (Nb) or lead (Pb), many spike-like peaks with almost the same spacing appear inside the superconducting gap in addition to anomalies owing to the multiple Andreev reflection in the differential conductance spectra. The spacing between the adjacent peaks is independent of the temperature variation. These indicate that H or D impurities adsorbed on the JJ are sources of noise for the Josephson current.

Universalities of anomalous properties in electron transport through different Z-shaped phosphorene nanoribbon devices

Aiming at improving the flexibility of designing the phosphorene-based nanodevices, we propose three kinds of Z-shaped phosphorene nanoribbons (ZPNRs), which are composed of two metallic nanoribbon electrodes and one semiconducting/metallic nanoribbon central region (CR). Many anomalous properties including the unexpected current increasing under the low bias voltage, the negative differential conductance, and the transition of the transport mechanism are found to be universal in different ZPNRs. Also, we find the current can be significantly suppressed by increasing the CR length, while no complete suppression can be induced by the increase of the CR width, indicating that the CR length and width will make different influences on the ZPNR transport. Moreover, the energy spectrums of two electrodes, the molecular energy levels of the CR, the transmission coefficients, and the transmission eigenstates are further calculated so as to clearly expound the anomalous properties and their universalities. We believe this research can provide a meaningful guidance for developing the phosphorene-based electronic devices.

Semiconductor Two-Dimensional PdQ2 (Q=S, Se) Monolayer: Strain Modulating Electronic Band Gaps and SQ Efficiencies

We studied the physical, electronic transport and optical properties of a unique pentagonal PdQ2 (Q= S, Se) monolayers. The dynamic stability of 2D - wrinkle like - PdQ2 is proven by positive phonon frequencies in the phonon dispersion curve. The optimized structural parameters of wrinkled pentagonal PdQ2 are in good agreement with the available experimental results. The ultimate tensile strength (UTHS) was calculated and found that, penta-PdS2 monolayer can withstand up to 16% (18%) strain along x (y) direction with 3.44 GPa (3.43 GPa). While, penta-PdSe2 monolayer can withstand up to 17% (19%) strain along x (y) dirrection with 3.46 GPa (3.40 GPa). It is found that, the penta-PdQ2 monolayers has the semiconducting behavior with indirect band gap of 0.94 and 1.26 eV for 2D-PdS2 and 2D-PdSe2, respectively. More interestingly, at room temperacture, the hole mobilty (electron mobility) obtained for 2D-PdS2 and PdSe2 are 67.43 (258.06) cm2 V-1 s-1 and 1518.81 (442.49) cm2 V-1 s-1, respectively. In addition, I-V characteristics of PdSe2 monolayer show strong negative differential conductance (NDC) region near the 3.57 V. The Shockly-Queisser (SQ) effeciency prameters of PdQ2 monolayers are also explored and the highest SQ efficeinciy obtained for PdS2 is 33.93% at -5% strain and for PdSe2 is 33.94% at -2% strain. The penta-PdQ2 exhibits high optical absorption intensity in the UV region, up to 4.04 × 105 (for PdS2) and 5.28 × 105 (for PdSe2), which is suitable for applications in optoelectronic devices. Thus, the ultrathin PdQ2 monolayers could be potential material for next-generation solar-cell applications and high performance nanodevices.

Artificial event horizons in Weyl semimetal heterostructures and their non-equilibrium signatures

We investigate transport in type-I/type-II Weyl semimetal heterostructures that realize effective black- or white-hole event horizons. We provide an exact solution to the scattering problem at normal incidence and low energies, both for a sharp and a slowly-varying Weyl cone tilt profile. In the latter case, we find two channels with transmission amplitudes analog to those of Hawking radiation. Whereas the Hawking-like signatures of these two channels cancel in equilibrium, we demonstrate that one can favor the contribution of either channel using a non-equilibrium state, either by irradiating the type-II region or by coupling it to a magnetic lead. This in turn gives rise to a peak in the two-terminal differential conductance which can serve as an experimental indicator of the artificial event horizon.

Superconducting Proximity Effect in Magnetic Molecules

<p>We studied the transport through magnetic molecules (MM) coupled to superconducting (S), ferromagnetic (F) and normal (N) leads, with the aim of investigating the interplay between the magnetism and the superconducting proximity effect. The magnetic molecules were modeled using the Anderson model with an exchange coupling between the electron spins and the spin of the molecule. We worked in the infinite superconducting gap limit and treated the coupling between the molecule and the superconducting lead exactly, via an effective Hamiltonian. For the F/N-MM-S systems we used a real-time diagrammatic perturbation theory to calculate the electronic transport properties of the systems to first order in the tunnel coupling to the normal or ferromagnetic lead and then analysed the properties with respect to the parameters of these models. For these systems we found that the current maps out the excitation energies of the eigenstates of the effective Hamiltonian and that various parameters in these systems can lead to a negative differential conductance. In the N-MM-S case the current had no overall spin dependence, but when the normal lead is instead ferromagnetic there was a spin dependence and both the electronic and molecular spin expectation values could take on non-zero values. We also found that the polarisation of the ferromagnetic lead suppresses the superconducting proximity effect. Furthermore in the N-MM-S case the Fano factor indicated a transition from Poissonian transport of single electrons to Poissonian transport of electron pairs as the superconducting proximity effect goes out of resonance, however in the F-MM-S case this did not occur. For the S-MM-S systems we calculated the equilibrium Josephson current and found that in the infinite superconducting gap limit no 0 − π transition was possible. Advantages of this study compared to related ones are that we allow for arbitrarily large Coulomb interactions and we take into account coupling to the superconducting lead non-perturbatively. This is however at the expense of working in the superconducting gap limit. Recently it has been possible to couple single molecules to superconducting leads. This study therefore aims to be indicative of the transport properties that will be observed in future experiments involving single magnetic molecules coupled to leads.</p>

Superconducting Proximity Effect in Magnetic Molecules

<p>We studied the transport through magnetic molecules (MM) coupled to superconducting (S), ferromagnetic (F) and normal (N) leads, with the aim of investigating the interplay between the magnetism and the superconducting proximity effect. The magnetic molecules were modeled using the Anderson model with an exchange coupling between the electron spins and the spin of the molecule. We worked in the infinite superconducting gap limit and treated the coupling between the molecule and the superconducting lead exactly, via an effective Hamiltonian. For the F/N-MM-S systems we used a real-time diagrammatic perturbation theory to calculate the electronic transport properties of the systems to first order in the tunnel coupling to the normal or ferromagnetic lead and then analysed the properties with respect to the parameters of these models. For these systems we found that the current maps out the excitation energies of the eigenstates of the effective Hamiltonian and that various parameters in these systems can lead to a negative differential conductance. In the N-MM-S case the current had no overall spin dependence, but when the normal lead is instead ferromagnetic there was a spin dependence and both the electronic and molecular spin expectation values could take on non-zero values. We also found that the polarisation of the ferromagnetic lead suppresses the superconducting proximity effect. Furthermore in the N-MM-S case the Fano factor indicated a transition from Poissonian transport of single electrons to Poissonian transport of electron pairs as the superconducting proximity effect goes out of resonance, however in the F-MM-S case this did not occur. For the S-MM-S systems we calculated the equilibrium Josephson current and found that in the infinite superconducting gap limit no 0 − π transition was possible. Advantages of this study compared to related ones are that we allow for arbitrarily large Coulomb interactions and we take into account coupling to the superconducting lead non-perturbatively. This is however at the expense of working in the superconducting gap limit. Recently it has been possible to couple single molecules to superconducting leads. This study therefore aims to be indicative of the transport properties that will be observed in future experiments involving single magnetic molecules coupled to leads.</p>

A Comparative Study On Electronic Transport Behavior Of Silicene And B40-Nano Onions

Density Functional Theory is utilized to scrutinize the electronic state of silicene and boron nano-onion which is a round compact mass formed by placing an N20, C20, and B20 fullerene within its parent atom fullerene B40. NEGF was used to investigate the quantum transport at both equilibrium and non-equilibrium. Firstly, the I-V curve for both silicene and boron-based devices was studied and compared. From the results, it is concluded that boron-based devices are better than silicene. To get deeper insights into why boron-based devices are better than silicene, transport properties of boron-based devices were determined. Later on, the transport mechanism is analyzed by computing the DOS, transmission and molecular spectra, HLG, electron densities, and differential conductance when the boron nano-onion is placed between the pair of Au electrodes. The calculated results are evaluated and a comparative study is done. From the results, it is deduced that the N20 variant nano-onion has lesser HOMO-LUMO gap (HLG) and highest value of current in comparison to other devices. Thus, by infusing a smaller fullerene of N20 inside the hollow cage of B40 fullerene the amplification of current and conductance can be observed in Boron-nano-onion in comparison to other devices.

Indium-contacted van der Waals gap tunneling spectroscopy for van der Waals layered materials

The electrical phase transition in van der Waals (vdW) layered materials such as transition-metal dichalcogenides and Bi2Sr2CaCu2O8+x (Bi-2212) high-temperature superconductor has been explored using various techniques, including scanning tunneling and photoemission spectroscopies, and measurements of electrical resistance as a function of temperature. In this study, we develop one useful method to elucidate the electrical phases in vdW layered materials: indium (In)-contacted vdW tunneling spectroscopy for 1T-TaS2, Bi-2212 and 2H-MoS2. We utilized the vdW gap formed at an In/vdW material interface as a tunnel barrier for tunneling spectroscopy. For strongly correlated electron systems such as 1T-TaS2 and Bi-2212, pronounced gap features corresponding to the Mott and superconducting gaps were respectively observed at T = 4 K. We observed a gate dependence of the amplitude of the superconducting gap, which has potential applications in a gate-tunable superconducting device with a SiO2/Si substrate. For In/10 nm-thick 2H-MoS2 devices, differential conductance shoulders at bias voltages of approximately ± 0.45 V were observed, which were attributed to the semiconducting gap. These results show that In-contacted vdW gap tunneling spectroscopy in a fashion of field-effect transistor provides feasible and reliable ways to investigate electronic structures of vdW materials.