Super-Klein Tunneling in a Black-Phosphorus-Based N-P Junction Modulated by Linearly Polarized Light.

We investigate the role of the black-phosphorus-based n-p (BP-np) junction modulated by linearly polarized light (LPL) in governing the quantum transport behaviors. Following the analysis of the band structures, we find that the LPL can adjust the gap between the conduction and valence bands by reducing the impact of momentum mismatch caused by the band gap. In addition, LPL can also eliminate the angle dependence of transmission. This means that for BP with a fixed band gap, the transmission-forbidden region can be reduced and the transmission probability can be increased by applying LPL modulation of the band gap to achieve all-angle perfect transmission, i.e., super-Klein tunneling (SKT). Our investigation also found that the SKT is robust to different incident energies, resulting in a larger conductance platform. These findings could be useful for the development and application of optical-like electronic devices.

First-principles calculations on the intrinsic resistivity of realistic metals: a case study of monolayer V2N.

The Ziman resistivity formula is extensively employed to calculate the intrinsic resistivity of realistic metals using recent works of first-principles calculations. Owing to the approximation, Allen's generalization, which relates the solution of the Boltzmann transport equation (BTE) for metals to the transport electron-phonon (e-ph) spectral function, the applicability of the Ziman resistivity formula still needs to be discussed. In this work, we perform first-principles calculations of the intrinsic resistivity of the V2N monolayer, a kind of MXene material, by employing the Ziman resistivity formula and the iterative solution of BTE. We find that in the wide temperature range of 50-1400 K, the intrinsic resistivity of the V2N monolayer obtained by means of the two approaches, has the same order of magnitude. However the Ziman resistivity formula fails to correctly describe the Fermi level dependence of the intrinsic resistivity of the V2N monolayer. The underlying reason is that the band edge of the V2N and hence Van Hove singularity (VHS), is near the shifted Fermi level. We suggest a modified Ziman resistivity formula which is valid even if there is a band edge at the Fermi level.

Anomalous Klein tunneling in two-dimensional black phosphorus heterojunctions.

We investigate the role of heterojunctions of few-layer black phosphorus (BP) with band gap inversion in governing the quantum transport behaviors. Numerical results show that in the armchair junction, electron tunneling probability occurs under approximately normal incidence with its magnitude T > 0.5. More interestingly, when different band gaps are taken into account on two sides of this junction, the maximum transmission appears away from the center of the valley, leading to the occurrence of anomalous Klein tunneling. Such a result tends to be independent of the width and height of the potential barrier. On the other hand, in the zigzag junction, electron transmission arises in a larger range of angles, and perfect electron transmission (T = 1.0) or reflection appears under specific band gap configurations. These findings provide a new understanding for the study of Klein tunneling and anomalous Klein tunneling based on tunable band gap BP or other two-dimensional Dirac semimetals.

Monolayer AsC5 as the Promising Hydrogen Storage Material for Clean Energy Applications.

One of the critical techniques for developing hydrogen storage applications is the advanced research to build novel two-dimensional materials with significant capacity and effective reversibility. In this work, we perform first-principles unbiased structure search simulations to find a novel AsC5 monolayer with a variety of functionally advantageous characteristics. Based on theoretical simulations, the proposed AsC5 has been found to be energetically, dynamically, and thermally stable, supporting the viability of experiment. Since the coupling between H2 molecules and the AsC5 monolayer is quite weak due to physisorption, it is crucial to be enhanced by thoughtful material design. Hydrogen storage capacity can be greatly enhanced by decorating the AsC5 monolayer with Li atoms. Each Li atom on the AsC5 substrate is shown to be capable of adsorbing up to four H2 molecules with an advantageous average adsorption energy (Ead) of 0.19 eV/H2. The gravimetric density for hydrogen storage adsorption with 16Li and 64 H2 of a Li-decorated AsC5 monolayer is about 9.7 wt%, which is helpful for the possible application in hydrogen storage. It is discovered that the desorption temperature (TD) is much greater than the hydrogen critical point. Therefore, such crucial characteristics make AsC5-Li be a promising candidate for the experimental setup of hydrogen storage.

Arsenene as a promising sensor for the detection of H2S: a first-principles study.

To explore the feasibility of arsenene in detecting H2S gas, we employ the density-functional theory to investigate the geometry, electronic structure and magnetic properties of defected and doped arsenene. Point defects do not appreciably improve the sensing performance of arsenene due to small adsorption energies and charge transfer. The doping of transition metals (Ti, V, Cr, Mn, Co and Ni) introduces magnetic moments and narrows the band gap of arsenene. Transition metal (TM) dopants can enhance the interaction between H2S and a modified arsenene substrate. Adsorption energies and charge transfers increase significantly, and the adsorption converts to chemisorption. After adsorption, the Ti and Cr-doped system's band gap change is twice that of the pristine and defective arsenene. The adsorption of H2S changes the system properties of two TM-doped arsenenes: Ti-doped arsenene transforms from semiconductor to half-metal, and Ni-doped arsenene transforms from half-metal to conductor. Electrical signals can be observed in this process to detect H2S molecules. Our calculations show that doping improves the detecting performance of arsenene to H2S molecules more efficiently than defects. Our results indicate that arsenene has a promising future in developing H2S gas sensors.

Quantum transmission through the n-p-n heterojunction of massive 8-Pmmnborophene.

We investigate the quantum transmission through the n-p-n heterojunction of massive 8-Pmmnborophene. It is found that the Dirac mass of the electron interacts nontrivially with the anisotropy of the 8-Pmmnborophene, leading to the occurrence of new transmission behaviors in this n-p-n heterojunction. Firstly, the effective energy range of nonzero transmission can be reduced but deviates from the mass amplitude, which induces the further controllability of the transmission property. Secondly, even if the equal-energy surfaces in the p and n parts do not encounter in thek-space, finite transmission is allowed to occur as well. In addition, the existence of Dirac mass can change the reflection manner from the retroreflection to the specular reflection under appropriate conditions. The findings in this work can be helpful in describing the quantum transport properties of the heterojunction based on 8-Pmmnborophene.

Dissipative preparation of qutrit entanglement via periodically modulated Rydberg double antiblockade.

We propose a mechanism of Rydberg double antiblockade by virtue of a resonant dipole-dipole interaction between a pair of Rydberg atoms placed at short distances scaling as 1/R3. By combining this novel excitation regime with microwave-driven fields and dissipative dynamics, a stationary qutrit entangled state can be obtained with high quality, the corresponding steady-state fidelity and purity are insensitive to the variations of the dynamical parameters. Furthermore, we introduce time-dependent laser fields with periodically modulated amplitude to speed up the entanglement creation process. Numerical simulations reveal that the order of magnitude of the shortened convergence time is about 103 in units of ω0, and the acceleration effect appears valid in broad parametric space. The present results enrich the physics of the Rydberg antiblockade regimes and may receive more attention for the experimental investigations in dissipative dynamics of neutral atoms.

Interference effect on the Andreev reflections induced by Majorana bound states.

We investigate the effect of quantum interference on the Andreev reflections (ARs) induced by Majorana bound states (MBSs), by considering their additional coupling via a quantum-dot molecule. It is found that due to the direct and indirect couplings of MBSs, a quantum ring is constructed in this system. Consequently, the interference effect makes important contribution to the ARs, especially in the presence of the local magnetic flux. All the results are manifested as the tight dependence of the differential conductance and Fano factors on the magnetic flux phase factor, dot-MBS couplings, and the dot level, respectively. Moreover, at the zero-bias limit, the magnitudes of the Fano factors and their relation can be efficiently altered by the interference properties. We believe that quantum interference is important for manipulating the Andreev reflection behaviors of the MBSs.

Interference effect in the electronic transport of a topological insulator quantum dot.

Edge and bulk energy levels can coexist in a quantum dot (QD) made of a topological insulator. Interference effect will occur between bulk and edge levels and also between degenerate edge levels. It can be observed in the transport behavior. For the former, it acts as Fano interference with edge and bulk levels contributing continuous and resonant transport channels, respectively. Generally speaking, Fano interference can be realized in a two-armed junction with a single QD or a one-armed junction with at least two QDs. But here it is realized in a one-armed junction with a single QD. As for the interference between degenerate edge levels, it leads to a spin and space dependent scattering process. Spin of an incident electron will either be conserved or rotate about an axis for transmitting into different leads. It is determined by the local spin polarization of edge levels and the accumulated phase in transport paths in the QD. It may be used in the design of a spin field-effect transistor.

Frustrated nonsequential double ionization of Ar atoms in counter-rotating two-color circular laser fields.

We theoretically investigate the frustrated double ionization (FDI) of Ar atoms with counter-rotating two-color circular (CRTC) laser fields using the three-dimensional (3D) classical ensemble method. Our results show that the FDI probability depends upon the intensity ratio of the CRTC laser fields. The FDI event accompanied with the recollision excitation with subsequent ionization is prevalent and three pathways exist in FDI processes driven by CRTC laser fields. The momentum distribution of a recaptured electron at the ionization time after recollision indicates that the momentum being close to the vector potential is a necessary condition for FDI events to occur. In addition, the recaptured electron most probably transitions to a Rydberg state of which the quantum number is ten in the CRTC fields.

Fano effect in a one-dimensional photonic lattice with side-coupled P T-symmetric non-Hermitian defects.

We theoretically study the transport properties in a one-dimensional photonic lattice influenced by the presence of side-coupled P T-symmetric non-Hermitian defects. The P T symmetry is manifested as the complex potentials on the defects and the complex defect-lattice couplings, respectively. These two mechanisms are found to induce the Fano effect in the transport processes, with the different characteristics of it. Next, if the complex potentials and defect-lattice couplings co-exist, the Fano effect will be achieved more efficiently. However, further enhancing either of them can weaken the Fano interference seriously. Our findings reveal the physical essence of the Fano effect on the P T-symmetric non-Hermitian defects, and the results can provide insights into the engineering and dynamical control of Fano resonances in non-Hermitian photonic structures.

[Formula: see text] symmetry of the Su-Schrieffer-Heeger model with imaginary boundary potentials and next-nearest-neighboring coupling.

By introducing the next-nearest-neighboring (NNN) intersite coupling, we investigate the eigenenergies of the [Formula: see text]-symmetric non-Hermitian Su-Schrieffer-Heeger (SSH) model with two conjugated imaginary potentials at the end sites. It is found that with the strengthening of NNN coupling, the particle-hole symmetry is destroyed. As a result, the bonding band is first narrowed and then undergoes the top-bottom reversal followed by the its width's increase, whereas the antibonding band is widened monotonously. In this process, the topological state extends into the topologically-trivial region, and its energy departs from the energy zero point, accompanied by the emergence of one new topological state in this region. All these results give rise to the complication of the topological properties and the manner of [Formula: see text]-symmetry breaking. It can be concluded that the NNN coupling takes important effects to the change of the topological properties of the non-Hermitian SSH system.

Signatures of Majorana doublet in the Fano-Rashba interferometer.

We theoretically study the quantum transport through a Fano-Rashba interferometer with an embedded Majorana doublet which generates at one end of the DIII-class topological superconductor. It shows that the Rasbha spin-orbit interaction in the reference arm drives the apparent and terminal-dependence spin polarization of the electron tunneling and crossed Andreev reflection, accompanied by their opposite directions. However, spin degeneracy holds in the local Andreev reflection. Next once the Majorana doublet is replaced by the Andreev bound state, the spin-polarization properties of the Andreev reflections are interchanged. Therefore, the Fano-Rashba interferometer can be a promising candidate for differentiating the Majorana doublet from other bound states.

Spin-polarized transport through a quantum ring with an embedded protein-like single-helical molecule.

We investigate the spin-polarized electron transport through a quantum ring whose arms are embedded by one protein-like single-helical molecule and one quantum dot, respectively. It is found that the inter-arm quantum interference leads to the enhancement of the spin polarization in this structure. Moreover, when local magnetic flux is applied through the ring, the spin polarization in the electron transport process, including the polarization strength and direction, can be further adjusted. Next in the finite-bias case, the spin polarization is also apparent and can be tuned by changing the magnetic flux or the dot level. This work provides a new scheme to manipulate the spin transport based on the single-helical molecule.

Josephson effects in the junction formed by DIII-class topological and s-wave superconductors with an embedded quantum dot.

We investigate the Josephson effects in the junction formed by the indirect coupling between DIII-class topological and s-wave superconductors via an embedded quantum dot. Due to the presence of two kinds of superconductors, three dot-superconductor coupling manners are considered, respectively. As a result, the Josephson current is found to oscillate in period 2π. More importantly, the presence of Majorana doublet in the DIII-class superconductor renders the current finite at the case of zero phase difference, with its sign determined by the fermion parity of such a junction. In addition, the dot-superconductor coupling plays a nontrivial role in adjusting the Josephson current. When the s-wave superconductor couples to the dot in the weak limit, the current direction will have an opportunity to reverse. It is believed that these results will be helpful for understanding the transport properties of the DIII-class superconductor.

Influence of an embedded quantum dot on the Josephson effect in the topological superconducting junction with Majorana doublets.

One Majorana doublet can be realized at each end of the time-reversal-invariant Majorana nanowires. We investigate the Josephson effect in the Majorana-doublet-presented junction modified by different inter-doublet coupling manners. It is found that when the Majorana doublets couple indirectly via a non-magnetic quantum dot, only the normal Josephson effect occurs, and the fermion parity in the system just affects the current direction and amplitude. However, one magnetic field applied on the dot can induce the fractional Josephson effect in the odd-parity case. Next if the direct and indirect couplings between the Majorana doublets coexist, no fractional Josephson effect takes place, regardless of the presence of magnetic field. Instead, there almost appears the π-period-like current in some special cases. All the results are clarified by analyzing the influence of the fermion occupation in the quantum dot on the parity conservation in the whole system. We ascertain that this work will be helpful for describing the dot-assisted Josephson effect between the Majorana doublets.

Fano effect and bound state in continuum in electron transport through an armchair graphene nanoribbon with line defect.

: Electron transport properties in an armchair graphene nanoribbon are theoretically investigated by considering the presence of line defect. It is found that the line defect causes the abundant Fano effects and bound state in continuum (BIC) in the electron transport process, which are tightly dependent on the width of the nanoribbon. By plotting the spectra of the density of electron states of the line defect, we see that the line defect induces some localized quantum states around the Dirac point and that the different localizations of these states lead to these two kinds of transport results. Next, the Fano effect and BIC phenomenon are detailedly described via the analysis about the influence of the structure parameters. According to the numerical results, we propose such a structure to be a promising candidate for graphene nanoswitch. PACS: 81.05.Uw, 71.55.-i, 73.23.-b, 73.25.+i.

Spin accumulation assisted by the Aharonov-Bohm-Fano effect of quantum dot structures.

: We investigate the spin accumulations of Aharonov-Bohm interferometers with embedded quantum dots by considering spin bias in the leads. It is found that regardless of the interferometer configurations, the spin accumulations are closely determined by their quantum interference features. This is mainly manifested in the dependence of spin accumulations on the threaded magnetic flux and the nonresonant transmission process. Namely, the Aharonov-Bohm-Fano effect is a necessary condition to achieve the spin accumulation in the quantum dot of the resonant channel. Further analysis showed that in the double-dot interferometer, the spin accumulation can be detailedly manipulated. The spin accumulation properties of such structures offer a new scheme of spin manipulation. When the intradot Coulomb interactions are taken into account, we find that the electron interactions are advantageous to the spin accumulation in the resonant channel.

Antiresonance and bound states in the continuum in electron transport through parallel-coupled quantum-dot structures.

In this paper we make a theoretical study of electron transport through a multi-quantum-dot system, in which the peripheral quantum dots of a one-dimensional chain are embodied in the two arms of an Aharonov-Bohm interferometer. It is found that, in the absence of magnetic flux, all the even molecule states of odd-numbered quantum-dot structures decouple from the leads and in even-numbered quantum-dot systems all the odd molecule states decouple from the leads, which indicates the formation of remarkable bound states in the continuum. Meanwhile, what is interesting is that apparent antiresonance occurs in electron transport through this structure, the positions of which are accordant with all even (odd) eigenenergies of the sub-molecule of the even (odd)-numbered quantum dots without the peripheral dots. All these results are efficiently modified by the presence of magnetic flux through this system.