Discrete vortex bound states with a van Hove singularity in the vicinity of the Fermi level

A theoretical study on discrete vortex bound states is carried out near a vortex core in the presence of a van Hove singularity(VHS) near the Fermi level by solving Bogoliubov–de Gennes(Bd G) equations. When the VHS lies exactly at the Fermi level and also at the middle of the band, a zero-energy state and other higher-energy states whose energy ratios follow integer numbers emerge. These discrete vortex bound state peaks undergo a splitting behavior when the VHS or Fermi level moves away from the middle of the band. Such splitting behavior will eventually lead to a new arrangement of quantized vortex core states whose energy ratios follow half-odd-integer numbers.

Density of excess modes below the first phonon mode in four-dimensional glasses

Glasses are known to possess low-frequency excess modes beyond the Debye prediction.For decades,it has been assumed that evolution of low-frequency density of excess modes D(ω) with frequency ω follows a power-law scaling:D(ω)~ω~γ.However,it remains debated on the value of γ at low frequencies below the first phonon-like mode in finitesize glasses.Early simulation studies reported γ=4 at low frequencies in two-(2D),three-(3D),and four-dimensional(4D)glasses,whereas recent observations in 2D and 3D glasses suggested γ=3.5 in a lower-frequency regime.It is uncertain whether the low-frequency scaling of D(ω)~ω^(3.5) could be generalized to 4D glasses.Here,we conduct numerical simulation studies of excess modes at frequencies below the first phonon-like mode in 4D model glasses.It is found that the system size dependence of D(ω) below the first phonon-like mode varies with spatial dimensions:D(ω) increases in2D glasses but decreases in 3D and 4D glasses as the system size increases.Furthermore,we demonstrate that the ω^(3.5)scaling,rather than the ω~4 scaling,works in the lowest-frequency regime accessed in 4D glasses,regardless of interaction potentials and system sizes examined.Therefore,our findings in 4D glasses,combined with previous results in 2D and 3D glasses,suggest a common low-frequency scaling of D(ω)~ ω^3.5) below the first phonon-like mode across different spatial dimensions,which would inspire further theoretical studies.

Low-frequency hybridized excess vibrations of two-dimensional glasses

One hallmark of glasses is the existence of excess vibrational modes at low frequenciesωbeyond Debye’s prediction.Numerous studies suggest that understanding low-frequency excess vibrations could help gain insight into the anomalous mechanical and thermodynamic properties of glasses.However,there is still intensive debate as to the frequency dependence of the population of low-frequency excess vibrations.In particular,excess modes could hybridize with phonon-like modes and the density of hybridized excess modes has been reported to follow D_(exc)(ω)~ω^(2)in 2D glasses with an inverse power law potential.Yet,the universality of the quadratic scaling remains unknown,since recent work suggested that interaction potentials could influence the scaling of the vibrational spectrum.Here,we extend the universality of the quadratic scaling for hybridized excess modes in 2D to glasses with potentials ranging from the purely repulsive soft-core interaction to the hard-core one with both repulsion and attraction as well as to glasses with significant differences in density or interparticle repulsion.Moreover,we observe that the number of hybridized excess modes exhibits a decrease in glasses with higher density or steeper interparticle repulsion,which is accompanied by a suppression of the strength of the sound attenuation.Our results indicate that the density bears some resemblance to the repulsive steepness of the interaction in influencing low-frequency properties.

Research on the Relationship between Density of States and Conducting Properties of Single-walled Carbon Nanotubes

The analytical expression of the electronic density of states (DOS) for single-walled carbon nanotubes (SWNTs) has been derived on the basis of graphene approximation of the energy E(k) near the Fermi level EF. The distinctive properties of the DOS, the normalized differential conductivity and the current us bias for SWNTs are deduced and analyzed theoretically. The singularities in the DOS (or in the normalized differential conductivity) predict that the jump structure of current (or conductance)-bias of SWNTs exists. All conclusions from the theoretical analysis are in well agreement with the experimental results of SWNT's electronic structure and electronic transport. In other words, the simple theoretical model in this paper can be applied to understand a range of spectroscopic and other measurement data related to the DOS of SWNTs.

Enhancement of refresh time in quasi-nonvolatile memory by the density of states engineering

The recently reported quasi-nonvolatile memory based on semi-floating gate architecture has attracted extensive attention thanks to its potential to bridge the large gap between volatile and nonvolatile memory.However,the further extension of the refresh time in quasi-nonvolatile memory is limited by the charge leakage through the p-n junction.Here,based on the density of states engineered van der Waals heterostructures,the leakage of electrons from the floating gate to the channel is greatly suppressed.As a result,the refresh time is effectively extended to more than 100 s,which is the longest among all previously reported quasi-nonvolatile memories.This work provides a new idea to enhance the refresh time of quasi-nonvolatile memory by the density of states engineering and demonstrates great application potential for high-speed and low-power memory technology.

Novel Understanding of Electron States Architecture and Its Dimensionality in Semiconductors

Some important insights into the electron-states-architecture (ESA) and its dimensionality (from 3 to 0) in a semiconductor (or generally crystalline) material are obtained. The self-consistency of the set of density of states (DOS) expressions with different dimensionalities is remediated through the clarification and rearrangement of the wave-function boundary conditions for working out the eigenvalues in the wave vector space. The actually too roughly observed and theoretically unpredicted critical points for the dimensionality transitions referring to the integer ones are revealed upon an unusual assumption of the intrinsic energy-level dispersion (ELD). The ELD based quantitative physical model had been established on an immediate instinct at the very beginning and has been properly modified afterwards. The uncertainty regarding the relationship between the de Broglie wavelength of electrons and the dimensionality transitions, seeming somewhat mysterious before, is consequentially eliminated. The effect of the material dimensions on the ELD width is also predicted and has been included in the model. The continuous evolution of the ESA dimensionality is convincingly and comprehensively interpreted and thus the area of the fractional ESA dimensionalities is opened. Another new assumption of the spatial extension shrinkage (SES) closely related to the ELD has also been made and thus the understanding of the behavior of an electron or, in a general sense, a particle has become more comprehensive. This work would manifest itself a new basis for further development of nanoheterostructures (or low dimensional heterostructures including the quantum wells, quantum wires, quantum dots and especially the hetero-dimensional structures). Expected should also be the possible inventions of some novel electronic and optoelectronic devices. More basically, it leads to a new quantum mechanical picture, the essential modifications of Schrödinger equation and Newtonian equation that give rise to a full cosmic-scope picture, and a super-low-speed relativity assumption.

Vortex bound states influenced by the Fermi surface anisotropy

The spatial distribution of vortex bound states is often anisotropic,which is correlated with the underlying property of materials.In this work,we examine the effects of Fermi surface anisotropy on vortex bound states.The large-scale calculation of vortex bound states is introduced in the presence of fourfold or twofold Fermi surface by solving the Bogoliubov–de Gennes(BdG)equations.Two kinds of quasiparticles’behaviors can be extracted from the local density of states(LDOS)around a vortex.The angle-dependent quasiparticles will move from high energy to low energy when the angle varies from curvature maxima to minima of the Fermi surface,while the angle-independent quasiparticles tend to stay at a relatively higher energy.In addition,the weight of angle-dependent quasiparticles can be enhanced by the increasing anisotropy degree of Fermi surface.

Spin-Split Joint Density of States in GdN

We present an investigation of the optical constants of the near stoichiometric GdN films. Transmission and reflection spectra are collected for the paramagnetic and the ferromagnetic GdN in the photon energy range of 0.5-5.5 eV. In the ferromagnetic phase, behaviors of minority and majority spin states are specifically focussed on, which indicate spin-split joint density of states. The results confirm the LSDA＋U estimates of energy gap associated with the majority-spins and also the magnitude of spin splitting.

Study of Electronic Density of States: Zintl Alloys

In the present work the electronic density of states of liquid,viz.,Zintli alloys,have been studied only at the composition of their maximum resistivity to have an elementary idea about the behaviors of the alloys with respect to nearly free electron behavior.The study reveals that the anomalous electronic behavior of liquid Li-Pb,Na-Pb,Li-Sn,and Na-Sn can be attributed to the preferential ordering of unlike atoms.

Density of States in Two-Dimensional Square Lattices Around Half Filling with Strong Impurities

We calculate the lowest-order quantum-interference correction to the density of states (DOS) of weakly-disordered two-dimensional (2D) tight-binding square lattices around half filling. The impurities are assumed to be randomly distributed on small fractions of the sites, and have a-strong potential yielding a unitary-limit scattering. In addition to the usual diffusive modes in the retarded-advanced channel, there appear diffusive pi modes in the retarded-retarded (or advanced-advanced) channel due to the existence of particle-hole symmetry. It is found that the pi-mode diffuson gives rise to a logarithmic suppression to the DOS near the band center, which prevails over the positive correction contributed by pi-mode cooperon. As a result, the DOS is subject to a negative total correction. This result is qualitatively different from the divergent behavior of the DOS at the band center predicted previously for disordered 2D two-sublattice models with the particle-hole symmetry.

Electron states scattering off line edges on the surface of topological insulator

We study the local density of states （LDOS） for electrons scattering off the line edge of an atomic step defect on the surface of a three-dimensional （3D） topological insulator （TI） and the line edge of a finite 3D TI, where the front surface and side surface meet with different Fermi velocities, respectively. By using a S-function potential to model the edges, we find that the bound states existed along the step line edge significantly contribute to the LDOS near the edge, but do not modify the exponential behavior away from it. In addition, the power-law decaying behavior for LDOS oscillation away from the step is understood from the spin rotation for surface states scattering off the step defect with magnitude depending on the strength of the potential. Furthermore, the electron refraction and total reflection analogous to optics occurred at the line edge where two surfaces meet with different Fermi velocities, which leads to the LDOS decaying behavior in the greater Fermi velocity side similar to that for a step line edge. However, in the smaller velocity side the LDOS shows a different decaying behavior as x-1/2, and the wavevector of LDOS oscillation is no longer equal to the diameter of the constant energy contour of surface band, but is sensitively dependent on the ratio of the two Fermi velocities. These effects may be verified by STM measurement with high precision.

Spontaneous-emission control by local density of states of photonic crystal cavity

The local density of states （LDOS） of two-dimensional square lattice photonic crystal （PhC） defect cavity is studied. The results show that the LDOS in the centre is greatly reduced, while the LDOS at the point off the centre （for example, at the point （0.3a, 0.4a）, where a is the lattice constant） is extremely enhanced. Further, the disordered radii are introduced to imitate the real devices fabricated in our experiment, and then we study the LDOS of PhC cavity with configurations of different disordered radii. The results show that in the disordered cavity, the LDOS in the centre is still greatly reduced, while the LDOS at the point （0.3a, 0.4a） is still extremely enhanced. It shows that the LDOS analysis is useful. When a laser is designed on the basis of the square lattice PhC rod cavity, in order to enhance the spontaneous emission, the active materials should not be inserted in the centre of the cavity, but located at positions off the centre. So LDOS method gives a guide to design the positions of the active materials （quantum dots） in the lasers.

Local density of states of dc-biased superlattices with time-dependent imperfection

The single-particle Green＇s function for a dc-biased superlattices with single impurity potential varying harmonically with time has been obtained in the framework of U（t,t＇） method and Floquet-Green＇s function. The calculation of the local density of states shows that new states will emerge between the resonant Wannier-Stark states as a result of the intervention of time-dependent impurity potential, and the increase in electric field strength of impurity will result in the growing of the number of new states between the gaps of neighbouring Stark ladders.

The Density of Energy States for Nonparabolic Dispersion Law in a Strong Magnetic Field

For nonparabolic dispersion law is determined by the density of the energy states (Ns) in a quantizing magnetic field. The effect of temperature on the expansion of the Lan-dau levels of electrons semiconductors with the nonquadratic dispersion is studied. The density of states at low temperatures is calculated from data on high-tem- perature Ns.

Effect of Temperature and Band Nonparabolicity on Density of States of Two Dimensional Electron Gas

The analysis of the density of states for electrons in single quantum well, the conduction band nonparabolicity take is account. It is shown that the degree of conduction band nonparabolicity pronounces depending on the energy density of states. With increasing temperature, a step change in the density of states smoothes and at high temperatures is completely blurred. Nonparabolicity dispersion law manifests itself in a wide range of temperatures. Calculations are carried out for the example of the quantum wells in InAs and InSb.

Sub-nano Layers of Li, Be, and Al on the Si(100) Surface: Electronic Structure and Silicide Formation

Within the framework of the density functional theory and the pseudopotential method,the electronic structure calculations of the“metal-Si(100)”systems with Li,Be and Al as metal coverings of one to four monolayers(ML)thickness,were carried out.Calculations showed that band gaps of 1.02 eV,0.98 eV and 0.5 eV,respectively,appear in the densities of electronic states when the thickness of Li,Be and Al coverings is one ML.These gaps disappear with increasing thickness of the metal layers:first in the Li-Si system(for two ML),then in the Al-Si system(for three ML)and then in the Be-Si system(for four ML).This behavior of the band gap can be explained by the passivation of the substrate surface states and the peculiarities of the electronic structure of the adsorbed metals.In common the results can be interpreted as describing the possibility of the formation of a two-dimensional silicide with semiconducting properties in Li-Si(100),Be-Si(100)and Al-Si(100)systems.

A first-principle calculation of structural,mechanical and electronic properties of titanium borides

The first-principle calculations are performed to investigate the structural,mechanical and electronic properties of titanium borides （Ti2B,TiB and TiB2）.Those calculated lattice parameters are in good agreement with the experimental data and previous theoretical values.All these borides are found to be mechanically stable at ambient pressure.Compared with parent metal Ti （120 GPa）,the larger bulk modulus of these borides increase successively with the increase of the boron content in three borides,which may be due to direction bonding introduced by the boron atoms in the lattice and the strong covalent Ti-B bonds.Additionally,TiB can be regarded as a candidate of incompressible and hard material besides TiB2.Furthermore,the elastic anisotropy and Debye temperatures are also discussed by investigating the elastic constants and moduli.Electronic density of states and atomic Mulliken charges analysis show that chemical bonding in these titanium borides is a complex mixture of covalent,ionic,and metallic characters.

MICROSTRUCTURE AND MAGNETISM OF Co/Ti and Co/Cu(Ni) MULTILAYERS

The multilayers in the forms of glass/Cu(Ni)(5.0 nm)/[Co(2.0 nm)/Cu(Ni)(0.5～3.7 nm)] 30 and glass/Ti(5.0 nm)/[Co(2.0 nm)/Ti(0.4～3.5 nm)] 30 ,prepared by dual facing target sputtering at room temperature,exhibit a soft magnetic property.The structural and magnetic properties of Co/Cu(Ni) and Co/Ti multilayers were examined as a function of the spacer layer thickness (d Ti and d Cu(Ni) ) by low angle X ray diffraction (LAXRD) and VSM measurements.The saturation magnetization M s of the Co/Ti multilayers was found to decrease with d Ti and approached to a constant value when d Ti was thick enough.But in the Co/Cu(Ni) multilayers,the M s was found to oscillate with d Cu(Ni) when d Cu(Ni) was less than 3.0 nm,and the oscillation period was about 1.0 nm.This arose from the different interlayer magnetic coupling effects.We interpret these two different kinds of interlayer magnetic couplings as the consequence of the competition between the RKKY like and superexchange couplings.

First-principles calculations of structural,elastic and electronic properties of(TaNb)0.67(HfZrTi)0.33 high-entropy alloy under high pressure

To clarify the effect of pressure on a(TaNb)0.67(HfZrTi)0.33 alloy composed of a solid solution with a single body-centered-cubic crystal structure,we used first-principles calculations to theoretically investigate the structural,elastic,and electronic properties of this alloy at different pressures.The results show that the calculated equilibrium lattice parameters are consistent with the experimental results,and that the normalized structural parameters of lattice constants and volume decrease whereas the total enthalpy differenceΔE and elastic constants increase with increasing pressure.The(TaNb)0.67(HfZrTi)0.33 alloy exhibits mechanical stability at high pressures lower than 400 GPa.At high pressure,the bulk modulus B shows larger values than the shear modulus G,and the alloy exhibits an obvious anisotropic feature at pressures ranging from 30 to 70 GPa.Our analysis of the electronic structures reveals that the atomic orbitals are occupied by the electrons change due to the compression of the crystal lattices under the effect of high pressure,which results in a decrease in the total density of states and a wider electron energy level.This factor is favorable for zero resistance.

DFT Studies on Electronic Structures of Boro-Nitride-Carbon Nanotubes

In this paper, the configurations of Boro-Nitride-Carbon nanotubes with BNC2 composition were optimized by ROHF method. According to the density functional theory, the electronic structures of Boro-Nitride-Carbon nanotubes were calculated by DFT/ROB3LYP method. By analyzing the energy gap, density of electronic state and bonding maps of atoms, the conductive properties of Boro-Nitride-Carbon nanotubes were obtained, and compared with those of carbon nanotubes and other Boro-Nitride nanotubes.