Search

We theoretically study the quantum scattering and transport of electrons with Mexican-hat dispersion through both step and rectangular potential barriers by using the transfer matrix method. Owing to the torus-like iso-energy lines of the Mexican-hat dispersion, we observe the presence of double reflections and double transmissions in both two different barrier scenarios, i.e., the normal reflection (NR), retro-reflection (RR), normal transmission (NT), and specular transmission (ST).For the step potential with electrons incident from the large wavevector, the transmission is primarily governed by NT with nearly negligible ST, while the reflection is dominant by RR (NR) within (outside) the critical angle. Additionally, for electrons incident from the small wavevector, the NT can be reduced to zero by adjusting the barrier, resulting in a significant enhancement of ST and RR. For the rectangular barrier, the transmission and reflection spectra resemble those of the step barrier, but there are two kinds of resonant tunneling which can lead to perfect NT or ST. There exists a negative differential conductance (NDC) effect in the conductance spectrum. The conductance and the peak-to-valley ratio of the NDC effect can be effectively controlled by adjusting the height and width of the barrier as well as the incident energy. Our results provide a deeper understanding of the electron states governed by the Mexican-hat dispersion., Comment: 8 pages, 5 figures

At the Deep Underground Neutrino Experiment (DUNE), a proton beam hits a fixed target leading to large production rates of mesons. These mesons can decay and potentially provide a source of long-lived neutral fermions. Examples of such long-lived fermions are heavy neutral leptons which can mix with the standard-model active neutrinos, and the bino-like lightest neutralino in R-parity-violating supersymmetry. We show that the Standard Model Effective Field Theory extended with right-handed singlet neutrinos can simultaneously describe heavy neutral leptons and bino-like neutralinos in a unified manner. We use the effective-field-theory framework to determine the sensitivity reach of the DUNE near detector in probing various scenarios of long-lived neutral fermions., Comment: v1, 44 pages plus references, 9 figures, 21 tables; v2, minor changes, accepted for publication in JHEP

We investigate neutrinoless double-beta decay ($0\nu\beta\beta$) in the minimal extension of the standard model of particle physics, the $\nu$SM, where gauge-singlet right-handed neutrinos give rise to Dirac and Majorana neutrino mass terms. We focus on the associated sterile neutrinos and argue that the usual evaluation of their contributions to $0\nu\beta\beta$, based on mass-dependent nuclear matrix elements, is missing important contributions from neutrinos with ultrasoft and hard momenta. We identify the hadronic and nuclear matrix elements that enter the new contributions, and calculate all relevant nuclear matrix elements for $^{136}$Xe using the nuclear shell model. Finally, we illustrate the impact on $0\nu\beta\beta$ rates in specific neutrino mass models and show that the new contributions significantly alter the $0\nu\beta\beta$ rate in most parts of the $\nu$SM parameter space., Comment: 8 pages, 3 figures, 2 tables

The van der Waals (vdW) magnetic heterostructures provide flexible ways to realize particular magnetic properties that possess both scientific and practical significance. Here, by firstprinciples calculation, we predict strong Dzyaloshinskii-Moriya interactions (DMIs) by constructing CrI3/Metal vdW heterostructures. The underlaying mechanisms are ascribed the large spin-orbital coupling (SOC) of the I atom and the structural distortion in CrI3 layer caused by interlayer interaction. This is different from the traditional way that deposit magnetic films on substrate to generate DMI, wherein DMI is dominated by interlayer hybridization and large SOC of substrates. In addition, both Heisenberg exchange and magnetic anisotropy are modulated dramatically, such as Heisenberg exchange is nearly doubled on Au(111), and the out-of-plane magnetism is enhanced by 88% on Ir(111). Our work may provide a experimentally accessible strategy to induce DMI in vdW magnetic materials, which will be helpful to the design of spintronics devices.

Two-dimensional polyaniline with C$_3$N stoichiometry, is a newly fabricated layered material that has been expected to possess fascinating electronic, thermal, mechanical and chemical properties. The nature of its counterpart nano-ribbons/structures offering even more tunability in property because of the unique quantum confinement and edge effect, however, has not been revealed sufficiently. Here, using the first-principles calculation based on density functional theory and nonequilibrium Green's function technique, we first perform a study on the electron band structure of armchair C$_3$N nanoribbons (AC$_3$NNRs) without and with H-passivation. The calculated results show that the pristine AC$_3$NNRs are metal, while the H-passivated ones are either direct or indirect band gap semiconductors depending on the detailed edge atomic configurations. Then we propose a lateral planar homogenous junction with an interface between the pristine and H-passivated AC$_3$NNRs, in which forms a Schottky-like barrier. Interestingly, our further transport calculation demonstrates that this AC$_3$NNRs-based heterojunction exhibits a good rectification behavior. In specification, the average rectification ratio (RR) can reach up to $10^3$ in the bias regime from 0.2 to 0.4 V. Particularly, extending the length of semiconductor part in the heterojunction leads to the decrease of the current through the junction, but the RR can be enlarged obviously. The average RR increases to the order of $10^4$ in the bias from 0.25 to 0.40 V, with the boosted maximum up to $10^5$ at 0.35 V. The findings of this work may be serviceable for the design of functional nanodevices based on AC$_3$NNRs in the future., Comment: 9 pages, 8 figures

Multiferroic van der Waals (vdW) heterostrucutres offers an exciting route towards novel nanoelectronics and spintronics device technology. Here we investigate the electronic and transport properties of multiferroic vdW heterostructure composed of ferromagnetic FeCl$_2$ monolayer and ferroelectric Sc$_2$CO$_2$ monolayer using first-principles density functional theory and quantum transport simulations. We show that FeCl$_2$/Sc$_2$CO$_2$ heterostructure can be reversibly switched from semiconducting to half-metallic behavior by electrically modulating the ferroelectric polarization states of Sc$_2$CO$_2$. Intriguingly, the half-metallic phase exhibits a Type-III broken gap band alignment, which can be beneficial for tunnelling field-effect transistor application. We perform a quantum transport simulation, based on a \emph{proof-of-concept} two-terminal nanodevice, to demonstrate all-electric-controlled valving effects uniquely enabled by the nonvolatile ferroelectric switching of the heterostructure. These findings unravels the potential of FeCl$_2$/Sc$_2$CO$_2$ vdW heterostructures as a building block for designing a next generation of ultimately compact information processing, data storage and spintronics devices., Comment: 9 pages, 5 figures, accepted for publication in Physical Review B (2022)

High energy collisions at the High-Luminosity Large Hadron Collider (LHC) produce a large number of particles along the beam collision axis, outside of the acceptance of existing LHC experiments. The proposed Forward Physics Facility (FPF), to be located several hundred meters from the ATLAS interaction point and shielded by concrete and rock, will host a suite of experiments to probe Standard Model (SM) processes and search for physics beyond the Standard Model (BSM). In this report, we review the status of the civil engineering plans and the experiments to explore the diverse physics signals that can be uniquely probed in the forward region. FPF experiments will be sensitive to a broad range of BSM physics through searches for new particle scattering or decay signatures and deviations from SM expectations in high statistics analyses with TeV neutrinos in this low-background environment. High statistics neutrino detection will also provide valuable data for fundamental topics in perturbative and non-perturbative QCD and in weak interactions. Experiments at the FPF will enable synergies between forward particle production at the LHC and astroparticle physics to be exploited. We report here on these physics topics, on infrastructure, detector, and simulation studies, and on future directions to realize the FPF's physics potential., Comment: 429 pages, contribution to Snowmass 2021

We investigate lepton-number-violating decays $K^\mp \rightarrow \pi^\pm l^\mp l^\mp$ in the presence of sterile neutrinos. We consider minimal interactions with Standard-Model fields through Yukawa couplings as well as higher-dimensional operators in the framework of the neutrino-extended Standard Model Effective Field Theory. We use $SU(3)$ chiral perturbation theory to match to mesonic interactions and compute the lepton-number-violating decay rate in terms of the neutrino masses and the Wilson coefficients of higher-dimensional operators. For neutrinos that can be produced on-shell, the decay rates are highly enhanced and higher-dimensional interactions can be probed up to very high scales around $ \mathcal{O}$(30) TeV., Comment: 31 pages, 6 figures

Large numbers of $\tau$ leptons are produced at Belle II. These could potentially decay into sterile neutrinos that, for the mass range under consideration, are typically long-lived, leading to displaced-vertex signatures. Here, we study a displaced-vertex search sterile-neutrino-extended Standard Model Effective Field Theory. The production and decay of the sterile neutrinos can be realized via either the standard active-sterile neutrino mixing or higher-dimensional operators in the effective Lagrangian. We perform Monte-Carlo simulations to estimate the Belle II sensitivities to such interactions. We find that Belle II can probe non-renormalizable dimension-six operators involving a single sterile neutrino up to a few TeV in the new-physics scale., Comment: v1: 14 pages + Appendix, 8 figures, 4 tables, v2: 15 pages+appendix, 9 figures, 4 tables, published in JHEP

We theoretically study the power-law decay behavior of the local density of states (LDOS) oscillations near a line defect in system with semi-Dirac points by using a low-energy k.p Hamiltonian. We find that the LDOS oscillations are strongly anisotropic and sensitively depend on the orientation of the line defect. We analytically obtain the decay indexes of the LDOS oscillations near a line defect running along different directions by using the stationary phase approximation. Specifically, when the line defect is perpendicular to the linear dispersion direction, the decay index is -5/4 whereas it becomes -1/4 if the system is gapped, both of which are different from the decay index -3/2 in isotropic Dirac systems. In contrast, when the line defect is perpendicular to the parabolic dispersion direction, the decay index is always -1/2 regardless of whether the system is gapped or not, which is the same as that in a conventional semimetal. In general, when the defect runs along an arbitrary direction, the decay index sensitively depends on the incident energy for a certain orientation of the line defect. It varies from -5/4 to -1/2 due to the absence of strict stationary phase point. Our results indicate that the decay index -5/4 provides a fingerprint to identify semi-Dirac points in 2D electron systems., Comment: Published version: 9 Pages, 6 Figures

For the pristine phosphorene nanoribbons (PNRs) with edge states, there exist two categories of edge bands near the Fermi energy (EF), i.e., the shuttle-shaped twofold-degenerate and the near-flat simple degenerate edge bands. However, the usual experimental measurement may not distinguish the difference between the two categories of edge bands. Here we study the varying rule for the edge bands of PNRs under an external electrostatic field. By using the KWANT code based on the tight-binding approach, we find that the twofold-degenerate edge bands can be divided into two separated shuttles until the degeneracy is completely removed and a gap near EFis opened under a sufficiently strong in-plane electric field. Importantly, each shuttle from the ribbon upper or lower edge outmost atoms is identified according to the local density of states. However, under a small off-plane field the shuttle-shaped bands are easily induced into two near-flat bands contributed from the edge atoms of the top and bottom sublayers, respectively. The evidence provides the edge and sublayer degrees of freedom (DOF) for the PNRs with shuttle-shaped edge bands, of which is obviously different from another category PNRs intrinsically with near-flat edge bands. This is because that the former category of ribbons solely have four zigzag-like atomic configurations at the edges in each unit cell, which also results in that the property is robust against the point defect in the ribbon center area. As an application, furthermore, based on this issue we propose a homogenous junction of a shuttle-edge-band PNR attached by two electric gates. Interestingly, the transport property of the junction with field manipulation well reflects the characteristics of the two DOFs. These findings may provide a further understanding on PNRs and initiate new developments in PNR-based electronics.

We study the prospects of a displaced-vertex search of sterile neutrinos at the Large Hadron Collider (LHC) in the framework of the neutrino-extended Standard Model Effective Field Theory ($\nu$SMEFT). The production and decay of sterile neutrinos can proceed via the standard active-sterile neutrino mixing in the weak current, as well as through higher-dimensional operators arising from decoupled new physics. If sterile neutrinos are long-lived, their decay can lead to displaced vertices which can be reconstructed. We investigate the search sensitivities for the ATLAS/CMS detector, the future far-detector experiments: AL3X, ANUBIS, CODEX-b, FASER, MATHUSLA, and MoEDAL-MAPP, and at the proposed fixed-target experiment SHiP. We study scenarios where sterile neutrinos are predominantly produced via rare charm and bottom mesons decays through minimal mixing and/or dimension-six operators in the $\nu$SMEFT Lagrangian. We perform simulations to determine the potential reach of high-luminosity LHC experiments in probing the EFT operators, finding that these experiments are very competitive with other searches., Comment: v1: 35 pages + Appendix, 12 figures, 17 tables; v2: accepted for publication in JHEP, typos corrected, reasoning for neglecting direct production of sterile neutrinos via parton collisions added upon referee's suggestion, results unchanged

Two-dimensional (2D) MoSi$_2$N$_4$ monolayer is an emerging class of air-stable 2D semiconductor possessing exceptional electrical and mechanical properties. Despite intensive recent research efforts devoted to uncover the material properties of MoSi$_2$N$_4$, the physics of electrical contacts to MoSi$_2$N$_4$ remains largely unexplored thus far. In this work, we study the van der Waals heterostructures composed of MoSi$_2$N$_4$ contacted by graphene and NbS$_2$ monolayers using first-principle density functional theory calculations. We show that the MoSi$_2$N$_4$/NbS$_2$ contact exhibits an ultralow Schottky barrier height (SBH), which is beneficial for nanoelectronics applications. For MoSi$_2$N$_4$/graphene contact, the SBH can be modulated via interlayer distance or via external electric fields, thus opening up an opportunity for reconfigurable and tunable nanoelectronic devices. Our findings provide insights on the physics of 2D electrical contact to MoSi$_2$N$_4$, and shall offer a critical first step towards the design of high-performance electrical contacts to MoSi$_2$N$_4$-based 2D nanodevices., Comment: 5 pages, 5 figures (accepted version, to appear in Applied Physics Letters)

Ultrathin films of topological Dirac semimetal, Na$_3$Bi, has recently been revealed as an unusual electronic materials with field-tunable topological phases. Here we investigate the electronic and transport properties of ultrathin Na$_3$Bi as an electrical contact to two-dimensional (2D) metal, i.e. graphene, and 2D semiconductor, i.e. MoS$_2$ and WS$_2$ monolayers. Using combined first-principle density functional theory and nonequilibrium Green's function simulation, we show that the electrical coupling between Na$_3$Bi bilayer thin film and graphene results in a notable interlayer charge transfer, thus inducing sizable $n$-type doping in the Na$_3$Bi/graphene heterostructures. In the case of MoS$_2$ and WS$_2$ monolayers, the lateral Schottky transport barrier is significantly lower than many commonly studied bulk metals, thus unraveling Na$_3$Bi bilayer as a high-efficiency electrical contact material for 2D semiconductors. These findings opens up an avenue of utilizing topological semimetal thin film as electrical contact to 2D materials, and further expands the family of 2D heterostructure devices into the realm of topological materials., Comment: 8 pages, 6 figures. Authors' accepted version

We investigate neutrinoless double beta decay ($0\nu\beta\beta$) in the presence of sterile neutrinos with Majorana mass terms. These gauge-singlet fields are allowed to interact with Standard-Model (SM) fields via renormalizable Yukawa couplings as well as higher-dimensional gauge-invariant operators up to dimension seven in the Standard Model Effective Field Theory extended with sterile neutrinos. At the GeV scale, we use Chiral effective field theory involving sterile neutrinos to connect the operators at the level of quarks and gluons to hadronic interactions involving pions and nucleons. This allows us to derive an expression for $0\nu\beta\beta$ rates for various isotopes in terms of phase-space factors, hadronic low-energy constants, nuclear matrix elements, the neutrino masses, and the Wilson coefficients of higher-dimensional operators. The needed hadronic low-energy constants and nuclear matrix elements depend on the neutrino masses, for which we obtain interpolation formulae grounded in QCD and chiral perturbation theory that improve existing formulae that are only valid in a small regime of neutrino masses. The resulting framework can be used directly to assess the impact of $0\nu\beta\beta$ experiments on scenarios with light sterile neutrinos and should prove useful in global analyses of sterile-neutrino searches. We perform several phenomenological studies of $0\nu\beta\beta$ in the presence of sterile neutrinos with and without higher-dimensional operators. We find that non-standard interactions involving sterile neutrinos have a dramatic impact on $0\nu\beta\beta$ phenomenology, and next-generation experiments can probe such interactions up to scales of $\mathcal O(100)$ TeV., Comment: 83 pages, 13 figures. Matches version accepted for publication in JHEP

The central question in the field of 2D materials is how a material behaves when it is patterned at nanometer scale with different edge geometries. Due to the anisotropy inherent in the puckered structure, black phosphorene nanostructures may have more varieties of edge geometries. Here, we present a comprehensive 2D planar crystallographic characterization of phosphorene uniformly by a chiral vector (angle), from which a new type of edge atomic configuration, the slope edge geometry is discovered. The phosphorene nanoribbons (PNRs) with slope edges, like previously noticed zigzag and skewed-armchair PNRs, also own interesting twofold-degenerate edge states. These three marginal directions, together with the skewed-zigzag and armchair directions without edge states, divide a phosphorene into four regions among which the electronic property is different from each other. Further, for a PNR cutting along any possible direction, by taking into account the z-direction in structure, whether or not it owns edge states depends on the periodic zigzag-like morphology along the edges. Moreover, we propose a PNR-based z-shaped homogenous junction with scale $\sim$100 nm, where the central scattering region between two PNR electrodes is a phosphorene quantum dot (PQD) of PNR segment with various edge morphologies. Interestingly, the calculated conductance of the junction relies sensitively on the central PQD edge states, which exhibits a terrace with resonant oscillations near Fermi energy, otherwise the electron transport is blocked due to the absence of edge states. Remarkably, the number of oscillating peaks exactly matches to the number of sawtooth along an edge of PQD, since the discrete energy levels of the zigzag-like edge provide the transporting channels for electrons. The results here may be extended to the group-VA 2D materials for observing the electronic property of nanostructures.

We analytically study the electronic structures and optical properties of zigzag-edged black phosphorene nanoribbons (ZPNRs) utilizing the tight-binding (TB) Hamiltonian and Kubo formula. By solving the discrete Schordinger equation directly, we obtain the energy spectra and wavefunctions for a $N$-ZPNR with $N$ number of transverse zigzag atomic chains, and classify the eigenstates according to the lattice symmetry. We then obtain the optical transition selection rule of ZPNRs based on the symmetry analysis and the analytical expressions of the optical transition matrix elements. Under an incident light linearly-polarized along the ribbon, importantly, we find that the optical transition selection rule for the $N$-ZPNR with even- or odd-$N$ is qualitatively different. In specification, for even-$N$ ZPNRs the inter- (intra-) band selection rule is $\Delta n=$odd (even), since the parity of the wavefunction corresponding to the $n$th subband in the conduction (valence) band is $(-1)^{n}[(-1)^{(n+1)}]$ due to the presence of the $C_{2x}$ symmetry. In contrast, all optical transitions are possible among all subbands due to the absence of the $C_{2x}$ symmetry. Our findings provide a further understanding on the electronic states and optical properties of ZPNRs, which are useful in the explanation of the optical experiment data on ZPNR samples., Comment: 13 pages, 9 figures

Dopability in semiconductors plays a crucial role in device performance. Using the first-principles density-functional theory calculations, we investigate systematically the doping properties of layered MX2 (M= Mo, W; X=S, Te) by replacing M or X with the groups III, V and VII elements. It is found that the defect BM is hard to form in MX2 due to the large formation energy originating from the crystal distortion, while AlM is easy to realize compared to the former. In MoS2, WS2 and MoTe2, Al is the most desirable p-type dopant under anion-rich conditions among the group III components, since AlM has relatively low transition and formation energies. With respect to the doping of the group V elements, it is found that the substitutions on the cation sites have deeper defect levels than those on the anion sites due to the strong electronegativity. AsTe and SbTe in MoTe2 and WTe2 are trend to form shallow acceptors under cation-rich conditions, indicating high hole-concentrations for p-type doping, whereas SbS in MoS2 and PTe in WTe2 are shown to be good p-type candidates under cation-rich conditions. In despite of that the substitutions of group VII on X site have low formation energies, the transition energies are too high to achieve n-type MoS2 and WS2. Nevertheless, for MoTe2, the substitutions with the group VII elements on the anion sites are suitable for n-type doping on account of the shallow donor levels and low formation energies under Mo-rich condition. As to WTe2, F is the only potential donor due to the shallow transition energy of FTe. Our findings of filtering out unfavorable and identifying favorable dopants in MX2 are very valuable for experimental implementations., Comment: Some of the calculations are problematic. We have to withdraw the paper in arXiv

Fabrication of atomic scale of metallic wire remains challenging. In present work, a nanoribbon with two parallel symmetric metallic and magnetic edges was designed from semiconductive monolayer PtS2 by employing first-principles calculations based on density functional theory. Edge energy, bonding charge density, band structure and simulated STM of possible edges states of PtS2 were systematically studied. It was found that Pt-terminated edge nanoribbons were the relatively stable metallic and magnetic edge tailored from a noble transition metal dichalcogenides PtS2. The nanoribbon with two atomic metallic wires may have promising application as nano power transmission lines, which at least two lines are needed., Comment: 15 pages, 9 figures