Yao-zhuang Nie

Strain-induced gap transition and anisotropic Dirac-like cones in monolayer and bilayer phosphorene

The electronic properties of two-dimensional monolayer and bilayer phosphorene subjected to uniaxial and biaxial strains have been investigated using first-principles calculations based on density functional theory. Strain engineering has obvious influence on the electronic properties of monolayer and bilayer phosphorene. By comparison, we find that biaxial strain is more effective in tuning the band gap than uniaxial strain. Interestingly, we observe the emergence of Dirac-like cones by the application of zigzag tensile strain in the monolayer and bilayer systems. For bilayer phosphorene, we induce the anisotropic Dirac-like dispersion by the application of appropriate armchair or biaxial compressive strain. Our results present very interesting possibilities for engineering the electronic properties of phosphorene and pave a way for tuning the band gap of future electronic and optoelectronic devices.

Strain induced topological phase transitions in monolayer honeycomb structures of group-V binary compounds

We present first-principles calculations of electronic structures of a class of two-dimensional (2D) honeycomb structures of group-V binary compounds. Our results show these new 2D materials are stable semiconductors with direct or indirect band gaps. The band gap can be tuned by applying lattice strain. During their stretchable regime, they all exhibit metal-indirect gap semiconductor-direct gap semiconductor-topological insulator (TI) transitions with increasing strain from negative (compressive) to positive (tensile) values. The topological phase transition results from the band inversion at the Γ point which is due to the evolution of bonding and anti-bonding states under lattice strain.

Strain engineering band gap, effective mass and anisotropic Dirac-like cone in monolayer arsenene

The electronic properties of two-dimensional puckered arsenene have been investigated using first-principles calculations. The effective mass of electrons exhibits highly anisotropic dispersion in intrinsic puckered arsenene. Futhermore, we find that out-of-plane strain is effective in tuning the band gap, as the material undergoes the transition into a metal from an indirect gap semiconductor. Remarkably, we observe the emergence of Dirac-like cone with in-plane strain. Strain modulates not only the band gap of monolayer arsenene, but also the effective mass. Our results present possibilities for engineering the electronic properties of two-dimensional puckered arsenene and pave a way for tuning carrier mobility of future electronic devices.

Spin-wave propagation in domain wall magnonic crystal

We present a new type of magnonic crystal consisting of a series of periodically distributed magnetic domain walls in a uniform strip. When spin waves propagate in such a structure, allowed and forbidden bands are formed due to translation symmetry and scattering of the spin waves at the domain wall boundaries caused by the dynamic stray field in the domain wall region. The control of the bandgap position in frequency and its width by the period of magnonic crystal and the domain wall width is investigated. It is found that the bandgap position decreases monotonously with the increase of the period or domain wall width, while the bandgap width displays an oscillated behavior. The origin of the oscillation of the bandgap width is discussed. This work may provide a new way of designing reconfigurable magnonic devices.

Electronic structures and magnetism of SrFeO2 under pressure: a first-principles study.

We have studied the electronic structures and magnetism of SrFeO2 under pressure by first-principles calculations in the framework of density functional theory (DFT) with GGA+U and HSE06 hybrid functionals, respectively. The pressure-induced spin transition from S = 2 to S = 1 and the antiferromagnetic-ferromagnetic (AFM-FM) transition observed in experiment are well reproduced by taking the site repulsion U and its pressure dependence into account. The electronic structure and its change with the pressure can be qualitatively understood in an ionic model together with the hybridization effects between the Fe 3d and O 2p states. It is found that the pressure leads to a change in Fe 3d electronic configuration from (d(z(2)))(2)(d(xz)d(yz))(2)(d(xy))(1)(d(x(2)-y(2)))(1) under ambient conditions to (d(z(2)))(2)(d(xz)d(yz))(3)(d(xy))(1)(d(x(2)-y(2)))(0) at high pressure. As a result, the spin state transits from S = 2 to S = 1 and both the antiferromagnetic intralayer Fe-O-Fe superexchange interaction and the interlayer Fe-Fe direction exchange coupling at ambient pressure become ferromagnetic at high pressure according to the Goodenough-Kanamori (G-K) rules. Additionally, our calculations predict another spin transition from S = 1 to S = 0 at pressures of about 220 GPa.

An analytical approach to the interaction of a propagating spin wave and a Bloch wall

The spin wave propagation and the spin-wave induced domain wall motion in a nanostrip with a Bloch domain wall are studied. The spin-wave dispersion relation and the transmission coefficients across the wall are derived analytically. A one-dimensional model for the domain wall motion is constructed. It is found that the spin wave can drive the wall to move either in the same direction or in the opposite direction to that of spin-wave propagation depending on the transmission coefficient. The transmitted magnons drag the wall moving backward without inertia by the adiabatic and nonadiabatic spin-transfer torques, while the reflected magnons push the wall moving forward by the linear momentum transfer torque.

Spin-wave resonance reflection and spin-wave induced domain wall displacement

Spin-wave propagation and spin-wave induced domain wall motion in nanostrips with a Neel wall are studied by micromagnetic simulations. It is found that the reflection of spin waves by the wall can be resonantly excited due to the interaction between spin waves and domain-wall normal modes. With the decrease of the saturation magnetization Ms (and the consequent increase of the wall width), the reflection is diminished and complete transmission can occur. The domain wall motion induced by spin waves is closely related to the spin-wave reflectivity of the wall, and may exhibit different types of behavior. The reflected spin waves (or magnons) give rise to a magnonic linear momentum-transfer torque, which drives the wall to move along the spin wave propagation direction. The maximal velocity of the domain wall motion corresponds to the resonance reflection of the spin waves. The transmitted spin waves (or magnons) lead to a magnonic spin-transfer torque, which drags the wall to move backwardly. The complica...

Steady-state domain wall motion driven by adiabatic spin-transfer torque with assistance of microwave field

We have studied the current-induced displacement of a 180° Bloch wall by means of micromagnetic simulation and analytical approach. It is found that the adiabatic spin-transfer torque can sustain a steady-state domain wall (DW) motion in the direction opposite to that of the electron flow without Walker Breakdown when a transverse microwave field is applied. This kind of motion is very sensitive to the microwave frequency and can be resonantly enhanced by exciting the domain wall thickness oscillation mode. A one-dimensional analytical model was established to account for the microwave-assisted wall motion. These findings may be helpful for reducing the critical spin-polarized current density and designing DW-based spintronic devices.

Conversion of electronic to magnonic spin current at a heavy-metal magnetic-insulator interface

Electronic spin current is convertible to magnonic spin current via the creation or annihilation of thermal magnons at the interface of a magnetic insulator and a metal with a strong spin-orbital coupling. So far this phenomenon was evidenced in the linear regime. Based on analytical and fulledged numerical results for the non-linear regime we demonstrate that the generated thermal magnons or magnonic spin current in the insulator is asymmetric with respect to the charge current direction in the metal and exhibits a nonlinear dependence on the charge current density, which is explained by the tuning effect of the spin Hall torque and the magnetization damping. The results are also discussed in light of and are in line with recent experiments pointing to a new way of non-linear manipulation of spin with electrical means.

Spin waves in the soft layer of exchange-coupled soft/hard bilayers

The magnetic dynamical properties of the soft layer in exchange-coupled soft/hard bilayers have been investigated numerically using a one-dimensional atomic chain model. The frequencies and spatial profiles of spin wave eigenmodes are calculated during the magnetization reversal process of the soft layer. The spin wave modes exhibit a spatially modulated amplitude, which is especially evident for high-order modes. A dynamic pinning effect of surface magnetic moment is observed. The spin wave eigenfrequency decreases linearly with the increase of the magnetic field in the uniformly magnetized state and increases nonlinearly with field when spiral magnetization configuration is formed in the soft layer.