Sumanene Monolayer of Pure Carbon: A Two-Dimensional Kagome-Analogy Lattice with Desirable Band Gap, Ultrahigh Carrier Mobility, and Strong Exciton Binding Energy.

The design and synthesis of novel two-dimensional (2D) materials that possess robust structural stability and unusual physical properties may open up enormous opportunities for device and engineering applications. Herein, a 2D sumanene lattice that can be regarded as a derivative of the conventional Kagome lattice is proposed. The tight-binding analysis demonstrates sumanene lattice contains two sets of Dirac cones and two sets of flat bands near the Fermi surface, distinctively different from the Kagome lattice. Using first-principles calculations, two possible routines for the realization of stable 2D sumanene monolayers (named α phase and ß phase) are theoretically suggested, and an α-sumanene monolayer can be experimentally synthesized with chemical vapor deposition using C21 H12 as a precursor. Small binding energies on Au(111) surface (e.g., -37.86 eV Å-2 for α phase) signify the possibility of their peel-off after growing on the noble metal substrate. Importantly, the GW plus Bethe-Salpeter equation calculations demonstrate both monolayers have moderate band gaps (1.94 eV for α) and ultrahigh carrier mobilities (3.4 × 104 cm2  V-1  s-1 for α). In particular, the α-sumanene monolayer possesses a strong exciton binding energy of 0.73 eV, suggesting potential applications in optics.

Increase in Axial Compressibility in a Spinning Van der Waals Gas.

We investigated the adiabatic compression along the axial direction of a spinning Van der Waals gas by applying theoretical analysis and molecular dynamics (MD) simulations. Based on the analytical results, the rotation-induced compressibility increase effect is significant in a Van der Waals gas, while the attraction term in the Van der Waals equation of states (EOS) contributes significantly to the compressibility increase in a spinning system. We conducted MD simulations to the axial compression of a spinning gas, whose state is far from the ideal gas state, and further demonstrated that the rotation-induced compressibility increase effect in a dense state is robust, implying that such a phenomenon can be detected in experiments under high-energy-density conditions.

Strongly Compressed Few-Layered SnSe2 Films Grown on a SrTiO3 Substrate: The Coexistence of Charge Ordering and Enhanced Interfacial Superconductivity.

High pressure has been demonstrated to be a powerful approach of producing novel condensed-matter states, particularly in tuning the superconducting transition temperature (Tc) of the superconductivity in a clean fashion without involving the complexity of chemical doping. However, the challenge of high-pressure experiment hinders further in-depth research for underlying mechanisms. Here, we have successfully synthesized continuous layer-controllable SnSe2 films on SrTiO3 substrate using molecular beam epitaxy. By means of scanning tunneling microscopy/spectroscopy (STM/S) and Raman spectroscopy, we found that the strong compressive strain is intrinsically built in few-layers films, with a largest equivalent pressure up to 23 GPa in the monolayer. Upon this, unusual 2 × 2 charge ordering is induced at the occupied states in the monolayer, accompanied by prominent decrease in the density of states (DOS) near the Fermi energy (EF), resembling the gap states of CDW reported in transition metal dichalcogenide (TMD) materials. Subsequently, the coexistence of charge ordering and the interfacial superconductivity is observed in bilayer films as a result of releasing the compressive strain. In conjunction with spatially resolved spectroscopic study and first-principles calculation, we find that the enhanced interfacial superconductivity with an estimated Tc of 8.3 K is observed only in the 1 × 1 region. Such superconductivity can be ascribed to a combined effect of interfacial charge transfer and compressive strain, which leads to a considerable downshift of the conduction band minimum and an increase in the DOS at EF. Our results provide an attractive platform for further in-depth investigation of compression-induced charge ordering (monolayer) and the interplay between charge ordering and superconductivity (bilayer). Meanwhile, it has opened up a pathway to prepare strongly compressed two-dimensional materials by growing onto a SrTiO3 substrate, which is promising to induce superconductivity with a higher Tc.

Stability and superconductivity of freestanding two-dimensional transition metal boridene: M4/3B2.

The small atomic mass of boron indicates strong electron-phonon coupling (EPC), so it may have a brilliant performance in superconductivity. Recently, a new 2D boride sheet with ordered metal vacancies and surface terminals (Mo4/3B2-x) was realized in experiments (Zhouet al2021Science373801). Here, the 2D monolayer freestanding Mo4/3B2is evidenced to be thermodynamically stable. Through electronic structure, phonon spectrum and EPC, monolayer Mo4/3B2is found to be an intrinsic phonon-mediated superconductor. The superconducting transition temperature (Tc) is determined to be 4.06 K by the McMillian-Allen-Dynes formula. Remarkably, theTcof monolayer Mo4/3B2can be increased to 6.78 K with an appropriate biaxial tensile strain (+5%). Moreover, we predict that other transition metal replacing Mo atoms is also stable and retaining the superconductivity. Such as monolayer W4/3B2is also a superconductor with theTcof 2.37 K. Our research results enrich the database of 2D monolayer superconductors and boron-related formed materials science.

Thermoelectric Effect in a Correlated Quantum Dot Side-Coupled to Majorana Bound States.

We theoretically study the thermoelectric effect in a hybrid device composed by a topological semiconducting nanowire hosting Majorana bound states (MBSs) and a quantum dot (QD) connected to the left and right non-magnetic electrodes held at different temperatures. The electron-electron Coulomb interactions in the QD are taken into account by the non-equilibrium Green's function technique. We find that the sign change of the thermopower, which is useful for detecting the MBSs, will occur by changing the QD-MBS hybridization strength, the direct overlap between the MBSs at the opposite ends of the nanowire, and the system temperature. Large value of 100% spin-polarized or pure spin thermopower emerges even in the absence of Zeeman splitting in the QD or magnetic electrodes because the MBSs are coupled to electrons of only one certain spin direction in the QD due to the chiral nature of the Majorana fermions. Moreover, the magnitude of the thermopower will be obviously enhanced by the existence of MBSs.

Stopping power of hot dense deuterium-tritium plasmas mixed with impurities to charged particles.

In this work, we studied the stopping power of deuterium-tritium (DT) plasmas mixed with impurities to the injected charged particles. Based on the Brown-Preston-Singleton model, the analytical expression for the change ratio of stopping power (denoted by η) induced by impurities in DT plasmas is developed, in which both classical short-distance collision part and quantum correction contribution are purely linear response to the impurity concentration ξ_{X}, while the classical long-range collision brings about higher-order nonlinear response to ξ_{X}. Furthermore, the expression for change ratio of deposition depth (denoted by χ) of charged particles induced by impurities in DT plasmas is also derived. As applications, we systemically investigated the energy loss of α particles deposited into a hot dense DT plasma mixed with impurity X(X=C, Si, Ge), where the temperature and density of DT are smaller than 10 keV and 500 g/cm^{3} and the concentration of Xξ_{X} is less than 5%. The numerical results suggest that (i) for the case of C mixed into DT, both change ratios of stopping power and deposition depth of α particles (i.e., η and χ) are linear response to the concentration of C ξ_{C}; (ii) for the case of Si mixed into DT, the second-order nonlinear response of η and χ to ξ_{Si} cannot be ignored when the densities of DT are larger than 200 g/cm^{3}; and (iii) for the case of Ge mixed into DT, the second- and third-order nonlinear response of η and χ to ξ_{Ge} are very remarkable because of the higher ionization degree and heavier atomic mass of Ge. The formulas and findings in this work may be helpful to the research of internal confinement fusion (ICF) related implosion physics and may provide useful theoretical guidance and data for the design of ICF target.

Spin-Polarized Transport and Spin Seebeck Effect in Triple Quantum Dots with Spin-Dependent Interdot Couplings.

We study the spin-dependent electronic and thermoelectric transport through a structure composed of triple quantum dots (TQDs) coupled to two metallic leads in the presence of spin-dependent interdot couplings, which is reliable by applying a static magnetic field on the tunnel junctions between different dots. When the TQDs are serially connected, a 100 % spin-polarized conductance and thermopower emerge even for very small spin-polarization of the interdot coupling as the dots are weakly coupled to each other. Whereas if the TQDs are connected in a ring shape, the Fano antiresonance will result in sharp peaks in the conductance and thermopower. In the presence of spin-dependent interdot couplings, the peaks of the spin-up and spin-down thermopowers will shift to opposite directions in the dot level regime, resulting large either 100 % spin-polarized or pure spin thermopowers. The latter generally arises at low temperatures and is robust against the level detuning, the dot-lead coupling, and the system equilibrium temperature.

Structural and transport properties of ammonia along the principal Hugoniot.

We investigate, via quantum molecular dynamics simulations, the structural and transport properties of ammonia along the principal Hugoniot for temperatures up to 10 eV and densities up to 2.6 g/cm3. With the analysis of the molecular dynamics trajectories by use of the bond auto-correlation function, we identify three distinct pressure-temperature regions for local chemical structures of ammonia. We derive the diffusivity and viscosity of strong correlated ammonia with high accuracy through fitting the velocity and stress-tensor autocorrelation functions with complex functional form which includes structures and multiple time scales. The statistical error of the transport properties is estimated. It is shown that the diffusivity and viscosity behave in a distinctly different manner at these three regimes and thus present complex features. In the molecular fluid regime, the hydrogen atoms have almost the similar diffusivity as nitrogen and the viscosity is dominated by the kinetic contribution. When entering into the mixture regime, the transport behavior of the system remarkably changes due to the stronger ionic coupling, and the viscosity is determined to decrease gradually and achieve minimum at about 2.0 g/cm3 on the Hugoniot. In the plasma regime, the hydrogen atoms diffuse at least twice as fast as the nitrogen atoms.

Dynamic properties of the energy loss of multi-MeV charged particles traveling in two-component warm dense plasmas.

The energy loss of multi-MeV charged particles moving in two-component warm dense plasmas (WDPs) is studied theoretically beyond the random-phase approximation. The short-range correlations between particles are taken into account via dynamic local field corrections (DLFC) in a Mermin dielectric function for two-component plasmas. The mean ionization states are obtained by employing the detailed configuration accounting model. The Yukawa-type effective potential is used to derive the DLFC. Numerically, the DLFC are obtained via self-consistent iterative operations. We find that the DLFC are significant around the maximum of the stopping power. Furthermore, by using the two-component extended Mermin dielectric function model including the DLFC, the energy loss of a proton with an initial energy of ∼15 MeV passing through a WDP of beryllium with an electronic density around the solid value n_{e}≈3×10^{23}cm^{-3} and with temperature around ∼40 eV is estimated numerically. The numerical result is reasonably consistent with the experimental observations [A. B. Zylsta et al., Phys. Rev. Lett. 111, 215002 (2013)PRLTAO0031-900710.1103/PhysRevLett.111.215002]. Our results show that the partial ionization and the dynamic properties should be of importance for the stopping of charged particles moving in the WDP.

Generalized Lenard-Balescu calculations of electron-ion temperature relaxation in beryllium plasma.

The problem of electron-ion temperature relaxation in beryllium plasma at various densities (0.185-18.5g/cm^{3}) and temperatures [(1.0-8)×10^{3} eV] is investigated by using the generalized Lenard-Balescu theory. We consider the correlation effects between electrons and ions via classical and quantum static local field corrections. The numerical results show that the electron-ion pair distribution function at the origin approaches the maximum when the electron-electron coupling parameter equals unity. The classical result of the Coulomb logarithm is in agreement with the quantum result in both the weak (Γ_{ee}<10^{-2}) and strong (Γ_{ee}>1) electron-electron coupling ranges, whereas it deviates from the quantum result at intermediate values of the coupling parameter (10^{-2}<Γ_{ee}<1). We find that with increasing density of Be, the Coulomb logarithm will decrease and the corresponding relaxation rate ν_{ie} will increase. In addition, a simple fitting law ν_{ie}/ν_{ie}^{(0)}=a(ρ_{Be}/ρ_{0})^{b} is determined, where ν_{ie}^{(0)} is the relaxation rate corresponding to the normal metal density of Be and ρ_{0}, a, and b are the fitting parameters related to the temperature and the degree of ionization 〈Z〉 of the system. Our results are expected to be useful for future inertial confinement fusion experiments involving Be plasma.

Anisotropic Fabry-Pérot resonant states confined within nano-steps on the topological insulator surface.

The peculiar nature of topological surface states, such as absence of backscattering, weak anti-localization, and quantum anomalous Hall effect, has been demonstrated mainly in bulk and film of topological insulator (TI), using surface sensitive probes and bulk transport probes. However, it is equally important and experimentally challenging to confine massless Dirac fermions with nano-steps on TI surfaces. This potential structure has similar ground with linearly-dispersed photons in Fabry-Pérot resonators, while reserving fundamental differences from well-studied Fabry-Pérot resonators and quantum corrals on noble metal surfaces. In this paper, we study the massless Dirac fermions confined within steps along the x (Γ-K) or y (Γ-M) direction on the TI surface, and the Fabry-Pérot-like resonances in the electronic local density of states (LDOS) between the steps are found. Due to the remarkable warping effect in the topological surface states, the LDOS confined in the step-well running along Γ-M direction exhibit anisotropic resonance patterns as compared to those in the step-well along Γ-K direction. The transmittance properties and spin orientation of Dirac fermion in both cases are also anisotropic in the presence of warping effect.

Quasiparticle states and quantum interference induced by magnetic impurities on a two-dimensional topological superconductor.

We theoretically study the effect of localized magnetic impurities on two-dimensional topological superconductor (TSC). We show that the local density of states (LDOS) can be tuned by the effective exchange field m, the chemical potential µ of TSC, and the distance Δr as well as the relative spin angle α between two impurities. The changes in Δr between two impurities alter the interference and result in significant modifications to the bonding and antibonding states. Furthermore, the bound-state spin LDOS induced by single and double magnetic impurity scattering, the quantum corrals and the quantum mirages are also discussed. Finally, we briefly compare the impurities in TSC with those in topological insulators.