Electronic structure and magnetic properties of substitutional transition-metal atoms in GaN nanotubes

The electronic structure and magnetic properties of the transition-metal （TM） atoms （Sc-Zn, Pt and Au） doped zigzag GaN single-walled nanotubes （NTs） are investigated using first-principles spin-polarized density functional calculations. Our results show that the bindings of all TM atoms are stable with the binding energy in the range of 6-16 eV. The Sc- and V-doped GaN NTs exhibit a nonmagnetic behavior. The GaN NTs doped with Ti, Mn, Ni, Cu and Pt are antiferromagnetic. On the contrary, the Cr-, Fe-, Co-, Zn- and Au-doped GaN NTs show the ferromagnetic characteristics. The Mn- and Co- doped GaN NTs induce the largest local moment of 4#B among these TM atoms. The local magnetic moment is dominated by the contribution from the substitutional TM atom and the N atoms bonded with it.

Measurement and analysis of species distribution in laser-induced ablation plasma of an aluminum–magnesium alloy

We proposed a theoretical spatio-temporal imaging method,which was based on the thermal model of laser ablation and the two-dimensional axisymmetric multi-species hydrodynamics model.By using the intensity formula,the integral intensity of spectral lines could be calculated and the corresponding images of intensity distribution could be drawn.Through further image processing such as normalization,determination of minimum intensity,combination and color filtering,a relatively clear species distribution image in the plasma could be obtained.Using the above method,we simulated the plasma ablated from Al-Mg alloy by different laser energies under 1 atm argon,and obtained the theoretical spatio-temporal distributions of Mg I,Mg II,Al I,Al II and Ar I species,which are almost consistent with the experimental results by differential imaging.Compared with the experimental decay time constants,the consistency is higher at low laser energy,indicating that our theoretical model is more suitable for the plasma dominated by laser-supported combustion wave.

Synthesis,thermionic emission and magnetic properties of(Nd_xGd_(1-x))B_6

Polycrystalline rare-earth hexaborides （NdxGdl-x）B6 （x = 0, 0.2, 0.6, 0.8, 1） were prepared by the reactive spark plasma sintering （SPS） method using mixed powder of GdH2, NdH2 and B. The effects of Nd doping on the crystal structure, the grain orientation, the thermionie emission and the magnetic properties of the hexaboride were investigated by X-ray diffraction, electron backscattered diffraction and magnetic measurements. It is found that all the samples sintered by the SPS method exhibit high densities （〉95%） and high values of Vickers hardness （2319 kg/mm2）. The values are much higher than those obtained in the traditional method. With the increase of Nd content,the thermionic emission current density increases from 11 to 16.30 A/cm2 and the magnetic phase transition temperature increases from 5.85 to 7.95 K. Thus, the SPS technique is a suitable method to synthesize the dense rare-earth hexaborides with excellent properties.

Electronic Structures of InGaN_(2) Nanotubes

We investigate the electronic structures of InGaN_(2) nanotubes(NTs)using first-principles calculations.It is found that all four types of InGaN_(2) NTs,with the same diameter,have similar stability.The total energy of the per unit InGaN_(2) NT depends on its diameter due to the curvature effect.The zigzag(armchair)InGaN_(2) NTs have direct(indirect)band gaps.The band gap increases for all of the InGaN_(2) NTs when their diameters increase.The valence band maximum(VBM)states of the InGaN_(2) NTs are p-like states localised around N atoms.The p-like VBM states in zigzag(armchair)InGaN_(2) NTs are perpendicular(parallel)to the tube axis.

Energy of a Polaron in a Wurtzite Nitride Finite Parabolic Quantum Well

The effects of electron-phonon interaction on energy levels of a polaron in a wurtzite nitride finite parabolic quantum well （PQW） are studied by using a modified Lee-Low-Pines variational method. The ground state, first excited state, and transition energy of the polaron in the GaN/Al0.3Ga0.7N wurtzite PQW are calculated by taking account of the influence of confined LO（TO）-like phonon modes and the half-spaee LO（TO）-like phonon modes and considering the anisotropy of all kinds of phonon modes. The numerical results are given and discussed. The results show that the electron-phonon interaction strongly affects the energy levels of the polaron, and the contributions from phonons to the energy of a polaron in a wurtzite nitride PQW are greater than that in an A1GaAs PQW. This indicates that ehe electron-phonon interaction in a wurtzite nitride PQW is not negligible.

Pressure influence on the Stark effect of impurity states in a strained wurtzite GaN/Al_xGa_(1-x)N heterojunction

A variational method is adopted to investigate the properties of shallow impurity states near the interface in a free strained wurtzite GaN/AlxGa1-xN heterojunction under hydrostatic pressure and external electric field by using a simplified coherent potential approximation. Considering the biaxial strain due to lattice mismatch or epitaxial growth and the uniaxial strains effects, we investigated the Stark energy shift led by an external electric field for impurity states as functions of pressure as well as the impurity position, A1 component and areal electron density. The numerical result shows that the binding energy near linearly increases with pressure from 0 to 10 GPa. It is also found that the binding energy as a function of the electric field perpendicular to the interface shows an un-linear red shift or a blue shift for different impurity positions. The effect of increasing x on blue shift is more significant than that on the red shift for the impurity in the channel near the interface. The pressure influence on the Stark shift is more obvious with increase of electric field and the distance between an impurity and the interface. The increase of pressure decreases the blue shift but increases the red shift.

Screening influence on the Stark effect of impurity states in strained wurtzite GaN/Al_xGa_(1-x)N heterojunctions under pressure

The screening effect of the random-phase-approximation on the states of shallow donor impurities in free strained wurtzite GaN/AlxGa1-xN heterojunctions under hydrostatic pressure and an external electric field is investigated by using a variational method and a simplified coherent potential approximation. The variations of Stark energy shift with electric field, impurity position, A1 component and areal electron density are discussed. Our results show that the screening dramatically reduces both the blue and red shifts as well as the binding energies of impurity states. For a given impurity position, the change in binding energy is more sensitive to the increase in hydrostatic pressure in the presence of the screening effect than that in the absence of the screening effect. The weakening of the blue and red shifts, induced by the screening effect, strengthens gradually with the increase of electric field. Furthermore, the screening effect weakens the mixture crystal effect, thereby influencing the Stark effect. The screening effect strengthens the influence of energy band bending on binding energy due to the areal electron density.

Magnetic properties of Fe_(3(1-x))Cr_(3x)C alloys

The magnetic properties of Fe3（1-x）Cr3xC alloys with x=0.05, 0.1, 0.15, and 0.2, which crystallize in the cementite Fe3C-type structure with space group Pnma, were investigated by means of magnetization measurements. These alloys show temperature-induced second-order magnetic phase transitions. The Curie temperature （Tc） of these alloys decreases with increasing x. The isothermal magnetic-entropy changes of these alloys were derived from the magnetic isotherms measured with increasing temperature and increasing field. The maximum values of the magnetic-entropy change are about 0.9 and 3.6 J·kg^-1·K^-1 at Tc =360 K for x = 0.05 in a magnetic field change from 0 to 1 T and 0 to 5 T, respectively.

Hawking radiation from gravity’s rainbow via gravitational anomaly

Based on the anomaly cancellation method, initiated by Robinson and Wilczek, we investigates Hawking radiation from the modified Schwarzschild black hole from gravity＇s rainbow from the anomaly point of view. Unlike the general Schwarzschild space-time, the metric of this black hole depends on the energies of probes. The obtained result shows to restore the underlying general covariance at the quantum level in the effective field, the covariant compensating flux of energy-momentum tensor, which is related to the energies of the probes, should precisely equal to that of a （1 ＋ 1）-dimensional blackbody at the Hawking temperature.

First-Principles Study on Native Defect Complexes in InN

We present first-principles calculations of the formation energy of different native defects and their complexes in wurtzite InN using density-functional theory and the pseudopotential plane-wave method. Our calculations are aimed in the three cases： N/In = 1, N/In 〉 1 （N-rich）, and N/In 〈 1 （In-rich）. Our results indicate that the antisite defect has the lowest formation energy under N/In = 1. The formation energy of nitrogen interstitial （nitrogen vacancy） defect is significantly low under the N-rich （In-rich） condition. Thus the antisite defect is an important defect if N/In = 1, and the nitrogen interstitial （nitrogen vacancy） defect is a vital defect under the N-rich （In-rich） condition. The atomic site relaxation around the nitrogen interstitial and vacancy is investigated. Our calculations show that the nitrogen vacancy cannot be observed although it is one of the most important defects in InN. Our results are confirmed by experiments.

Quantum weak force sensing with squeezed magnomechanics

Cavity magnomechanics,exhibiting remarkable experimental tunability,rich magnonic nonlinearities,and compatibility with various quantum systems,has witnessed considerable advances in recent years.However,the potential benefits of using cavity magnomechanical(CMM)systems in further improving the performance of quantum-enhanced sensing for weak forces remain largely unexplored.Here we show that,by squeezing the magnons,the performance of a quantum CMM sensor can be significantly enhanced beyond the standard quantum limit(SQL).We find that,for comparable parameters,two orders of magnitude enhancement in the force sensitivity can be achieved in comparison with the case without magnon squeezing.Moreover,we obtain the optimal parameter regimes of homodyne angle for minimizing the added quantum noise.Our findings provide a promising approach for highly tunable and compatible quantum force sensing using hybrid CMM devices,with potential applications ranging from quantum precision measurements to quantum information processing.

An analysis of nuclear charge radii based on the empirical formula

Several nuclear charge radii had been calculated based on the law of A1/3 and isospin dependence Z1/3 formula which had been used to describe the charge radii data. It is achieved that the isospin dependence Z1/3 formula is superior to the generally accepted A1/3 law through mean root square deviation analysis, that is, the Z1/3 formula is more effective to describe the charge radii data.

Temperature effects on interface polarons in a strained(111)-oriented zinc-blende GaN/AlGaN heterojunction under pressure

The properties of interface polarons in a strained （111）-oriented zinc-blende GaN/AlxGa1-xN heterojunction at finite temperature under hydrostatic pressure are investigated by adopting a modified LLP variational method and a simplified coherent potential approximation. Considering the effect of hydrostatic pressure on the bulk longitudinal optical phonon mode, two branches interface-optical phonon modes and strain, respectively, we calculated the polaronic self-trapping energy and effective mass as functions of temperature, pressure and areal electron density. The numerical result shows that both of them near linearly increase with pressure but the self-trapping energies are nonlinear monotone increasing with increasing of the areal electron density. They are near constants below a range of temperature whereas decrease dramatically with increasing temperature beyond the range. The contributions from the bulk longitudinal optical phonon mode and one branch of interface optical phonon mode with higher frequency are important whereas the contribution from another branch of interface optical phonon mode with lower frequency is extremely small so that it can be neglected in the further discussion.

Pressure influence on bound polarons in a strained wurtzite GaN/Al_xGa_(1_x)N heterojunction under an electric field

The binding energies of bound polarons near the interface of a strained wurtzite GaN/Al_xGa_（1-x）N het-erojunction are studied by using a modified LLP variational method and a simplified coherent potential approximation under hydrostatic pressure and an external electric field.Considering the biaxial strain due to lattice mismatch or epitaxial growth,the uniaxial strain effects and the influences of the electron-phonon interaction as well as impurity-phonon interaction including the effects of interface-optical phonon modes and half-space phonon modes,the binding energies as functions of pressure,the impurity position,areal electron density and the phonon effect on the Stark energy shift are investigated.The numerical result shows that the contributions from the interface optical phonon mode with higher frequency and the LO-like half space mode to the binding energy and the Stark energy shift are important and obviously increase with increasing hydrostatic pressure,whereas the interface optical phonon mode with lower frequency and the TO-like half space mode are extremely small and are insensitive to the impurity position and hydrostatic pressure.It is also shown that the conductive band bending should not be neglected.

Bound polaron in a strained wurtzite GaN/Al_xGa_(1-x)N cylindrical quantum dot

Within the effective-mass approximation,a variational method is adopted to investigate the polaron effect in a strained GaN/Al_xGa_（1-x）N cylindrical quantum dot.The electron couples with both branches of longitudinal optical-like（LO-like）and transverse optical-like（TO-like）phonons and the built-in electric field are taken into account.The numerical results show that the binding energy of the bound polaron is reduced obviously by the polaron effect on the impurity states.Furthermore,the contribution of LO-like phonons to the binding energy is dominant,and the anisotropic angle and Al content influence on the binding energy are small.