Exchange coupling and helical spin order in the triangular lattice antiferromagnet CuCrO2 using first principles

The magnetic and electronic properties of the geometrically frustrated triangular antiferromagnet CuCrO2 are investigated by first principles through density functional theory calculations within the generalized gradient approxi- mations （GGA）＋U scheme. The spin exchange interactions up to the third nearest neighbours in the ab plane as well as the coupling between adjacent layers are calculated to examine the magnetism and spin frustration. It is found that CuCrO2 has a natural two-dimensional characteristic of the magnetic interaction. Using Monte Carlo simulation, we obtain the Neel temperature to be 29.9 K, which accords well with the experimental value of 24 K. Based on non- collinear magnetic structure calculations, we verify that the incommensurate spiral-spin structure with （110） spiral plane is believable for the magnetic ground state, which is consistent with the experimental observations. Due to intra-layer geometric spin frustration, parallel helical-spin chains arise along the a, b, or a＋ b directions, each with a screw-rotation angle of about I20°. Our calculations of the density of states show that the spin frustration plays an important role in the change of d-p hybridization, while the spin-orbit coupling has a very limited influence on the electronic structure.     

Spin current and its heat effect in a multichannel quantum wire with Rashba spin-orbit coupling

Using the perturbation method,we theoretically study the spin current and its heat effect in a multichannel quantum wire with Rashba spin-orbit coupling.The heat generated by the spin current is calculated.With the increase of the width of the quantum wire,the spin current and the heat generated both exhibit period oscillations with equal amplitudes.When the quantum-channel number is doubled,the oscillation periods of the spin current and of the heat generated both decrease by a factor of 2.For the spin current j s,xy,the amplitude increases with the decrease of the quantum channel;while the amplitude of the spin current j s,yx remains the same.Therefore we conclude that the effect of the quantum-channel number on the spin current j s,xy is greater than that on the spin current j s,yx.The strength of the Rashba spin-orbit coupling is tunable by the gate voltage,and the gate voltage can be varied experimentally,which implies a new method of detecting the spin current.In addition,we can control the amplitude and the oscillation period of the spin current by controlling the number of the quantum channels.All these characteristics of the spin current will be very important for detecting and controlling the spin current,and especially for designing new spintronic devices in the future.     

Reverse electric field Monte Carlo simulation for vector radiative transfer in the atmosphere

In this paper, a reverse electric field Monte Carlo （REMC） method is proposed to study the vector radiation transfer in the atmosphere. The REMC is based on tracing the multiply scattered electric field to simulate the vector transmitted radiance. The reflected intensities with different total optical depth values are obtained, which accord well with the results in the previous research. Stokes vector and the degree of polarization are numerically investigated. The simulation result shows that when the solar zenith angle is determined, the zenith angle of detector has two points, of which the degree of polarization does not change with the ground albedo and the optical depth. The two points change regularly with the solar zenith angle. Moreover, our REMC method can be applied to the vector radiative transfer in the atmosphere-ocean system.     

A Study of Surfactant-Induced Growth of Ag on Ag （111）

A new growth model is introduced to describe surfactant-induced growth of Ag on Ag （111） with realistic physical parameters. In this model, the A-S exchange mechanism is considered for the first time. Using the Monte Carlo simulations, the influence of exchange mechanism, surface temperature T, the exchange barrier Eεx, and the coverage of surfactant θM on the growth mode and morphology during multilayer film growth of Ag/Ag （111） are studied in detail Both the referenced value of surfactant coverage and the method to obtain perfect layer-by-layer film in surfactantinduced Ag/Ag （111） system are provided. Our simulation results are consistent with many experimental observations for surfactant-induced growth of Ag on Ag （111）.     

Status and accuracy of the Monte Carlo generators for luminosity measurements

The status and accuracy of the precision Monte Carlo generators used for luminosity measurements at flavour factories is reviewed. It is shown that, thanks to a considerable, long-term effort in tuned comparisons between the predictions of independent programs, as well as in the validation of the generators against the presently available calculations of the next-to-next-to-leading order QED corrections to Bhabha scattering, the theoretical accuracy reached by the most precise tools is of about one per mille. This error estimate is valid for realistic experimental cuts, appears to be quite robust and is already sufficient for very accurate luminosity measurements. However, recent progress and possible advances to further improve it are also discussed.     

Coverage Dependence of Growth Mode in Heteroepitaxy of Ni on Cu（100） Surface

A realistic kinetic Monte Carlo （KMC） simulation model with physical parameters is developed, which well reproduces the heteroepitaxial growth of multilayered Ni thin film on Cu（100） surfaces at room temperature. The effects of mass transport between interlayers and edge diffusion of atoms along the islands are included in the simulation model, and the surface roughness and the layer distribution versus total coverage are calculated. Speeially, the simulation model reveals the transition of growth mode with coverage and the difference between the Ni heteroepitaxy on Cu（100） and the Ni homoepitaxy on Ni（100）. Through comparison of KMC simulation with the real scanning tunneling microscopy （STM） experiments, the Ehrlich-Schwoebel （ES） barrier Ees is estimated to be 0.18±0.02 eV for Ni/Cu（100） system while 0.28 eV for Ni/Ni（100）. The simulation also shows that the growth mode depends strongly on the thickness of thin film and the surface temperature, and the critical thickness of growth mode transition is dependent on the growth condition such as surface temperature and deposition flux as well.     

An electron spin resonance study of Eu doping effect in La4/3Srs/3Mn2O7 single crystal

The effect of Eu3＋ ion doping in the La sites of single-crystal La4/3Srs/3Mn2O7 was investigated. Electron spin resonance （ESR） was applied to La4/3Sr5/3Mn2O7 and （Lao.8Euo.2）4/3Sr5/3Mn2O7 single crystals. A phase separation and phase transitions were observed from the ESR spectra data. Between 350 K and 300 K, both paramagnetic resonance （PMR） and anisotropic ferromagnetic resonance （FMR） lines were observed in the ab plane and the c axis direction, suggesting a coexistence of the paramagnetic （PM） phase and the ferromagnetic （FM） phase. The magnetization measurement reveals a spin-glass-like behavior in single-crystal （Lao.8Euo.2）4/3 Sr5/3Mn2O7 below the temperature of spin freezing Tf （- 29.5 K）.     

Speckle intensity images of target based on Monte Carlo method

Speckle intensity in the detector plane is deduced in the free-space optical system and imaging system based on Van Cittert-Zemike theorem. The speckle intensity images of plane target and conical target are obtained by using the Monte Carlo method and measured experimentally. The results show that when the range extent of target is smaller, the speckle size along the same direction become longer, and the speckle size increase with increasing incident light wavelengths. The speckle size increases and the speckle intensity images of target is closer to the actual object when the aperture scale augments. These findings are useful to access the target information by speckle in laser radar systems.     

Effects of N/Z on Spin Distribution of Evaporation Residue Cross Section as a Probe of Nuclear Dissipation

The spin distribution of the evaporation residue cross section of nuclei ^194pb, ^200Pb, ^206Pb, and ^200 Os are calculated via a Langevin equation coupled with a statistical decay model. It is shown that with increasing the neutronto-proton ratio （N/Z） of the system, the sensitivity of the significantly. Moreover, for ^200Os this spin distribution is no spin distribution to the nuclear dissipation is decreased longer sensitive to the nuclear dissipation. These results suggest that to obtain a more accurate pre-saddle viscosity coefficient through the measurement of the evaporation residue spin distribution, it is best to yield those compound systems with low N/Z.     

Theoretical study of molecular hydrogen and spiltover hydrogen storage on two-dimensional covalent-organic frameworks

Molecular hydrogen and spiltover hydrogen storages on five two-dimensional （2D） covalent-organic frameworks （COFs） （PPy-COF, TP-COF, BTP-COF, COF-18 A, and HHTP-DPB COF） are investigated using the grand canonical Monte Carlo （GCMC） simulations and the density functional theory （DFT）, respectively. The GCMC simulated results show that HHTP-DPB COF has the best performance for hydrogen storage, followed by BTP-COF, TP-COF, COF-18 A, and PPy-COE However, their adsorption amounts at room temperature are all too low to meet the uptake target set by US Department of Energy （US-DOE） and enable practical applications. The effects of pore size, surface area, and isosteric heat of hydrogen on adsorption amount are considered, which indicate that these three factors are all the important factors for determining the H2 adsorption amount. The chemisorptions of spiltover hydrogen atoms on these five COFs represented by the cluster models are investigated using the DFT method. The saturation cluster models are constructed by considering all possible adsorption sites for these cluster models. The average binding energy of a hydrogen atom and the saturation hydrogen storage density are calculated. The large average binding energy indicates that the spillover process may pro- ceed smoothly and reversibly. The saturation hydrogen storage density is much larger than the physisorption uptake of H2 molecules at 298 K and 100 bar （1 bar = 105 Pa）, and is close to or exceeds the 2010 US-DOE target of 6 wt% for hydrogen storage. This suggests that the hydrogen storage capacities of these COFs by spillover may be significantly enhanced. Thus 2D COFs studied in this paper are suitable hydrogen storage media by spillover.     

Relativistic symmetries of Deng Fan and Eckart potentials with Coulomb-like and Yukawa-like tensor interactions

Relativistic symmetries of the Dirac equation under spin and pseudo-spin symmetries are investigated and a combina- tion of Deng-Fan and Eckart potentials with Coulomb-like and Yukawa-like tensor interaction terms are considered. The energy equation is obtained by using the Nikiforov-Uvarov method and the corresponding wave functions are expressed in terms of the hypergeometric functions. The effects of the Coulomb and Yukawa tensor interactions are numerically discussed as well.     

Study of neutron response for two hybrid RPC setups using the GEANT4 MC simulation approach

The present article describes a detailed neutron simulation study in the energy range 10^-10 MeV to 1.0 GeV for two different RPC configurations. The simulation studies were taken by using the GEANT4 MC code. Aluminum was utilized on the GND and readout strips for the （a） Bakelite-based and （b） glass-based RPCs. For the former type of RPC setup the neutron sensitivity for the isotropic source was Sn = 2.702 × 10^-2 at En = 1.0 GeV, while for the latter type of RPC, the neutron sensitivity for the same source was evaluated as Sn = 4.049 × 10^-2 at En = 1.0 GeV. These results were further compared with the previous RPC configuration in which copper was used for ground and pickup pads. Additionally A1 was employed at （GND＋strips） of the phosphate glass RPC setup and compared with the copper-based phosphate glass RPC. Good agreement with sensitivity values was obtained with the current and previous simulation results.     

Monte Carlo studies on the burnup measurement for the high temperature gas cooling reactor

Online fuel pebble burnup measurement in a future high temperature gas cooling reactor is proposed for implementation through a high purity germanimn （HPGe） gamma spectrometer. By using KORIGEN software and MCNP Monte Carlo simulations, the single pebble gamma radiations to be recorded in the detector are simulated under different, irradiation histories. A specially developed algorithm is applied to analyze the generated spectra to reconstruct the gamma activity of the ~arCs monitoring nuclide. It is demonstrated that by taking into account the intense interfering peaks, the 137Cs activity in the spent pebbles can be derived with a standard deviation of 3.0% （l（r）. The results support the feasibility of utilizing the HPGe spectrometry in the online determination of the pebble burimp in future modular pebble bed reactors.     

Theory of phonon-modulated electron spin relaxation time based on the projection reduction method

This paper introduces a new method for a formula for electron spin relaxation time of a system of electrons interacting with phonons through phonon-modulated spin-orbit coupling using the projection-reduction method. The phonon absorption and emission processes as well as the photon absorption and emission processes in all electron transition processes can be explained in an organized manner, and the result can be represented in a diagram that can provide intuition for the quantum dynamics of electrons in a solid. The temperature （T） dependence of electron spin relaxation times （T1） in silicon is T1 ∝ T-1.07 at low temperatures and T1 ∝ T-3.3 at high temperatures for acoustic deformation constant Pad = 1.4 × 10^7 eV and optical deformation constant Pod = 4.0 × 10^17 eV/m. This means that electrons are scattered by the acoustic deformation phonons at low temperatures and optical deformation phonons at high temperatures, respectively. The magnetic field （B） dependence of the relaxation times is T1 ∝ B-2.7 at 100 K and T1 ∝ B-2.3 at 150 K, which nearly agree with the result of Yafet, T1 ∝ B-3.0- B -2.5.     

The spin dynamics of the random transverse Ising chain with a double-Gaussian disorder

The dynamical properties of one-dimensional random transverse Ising model （RTIM） with a double-Gaussian disorder is investigated by the recursion method. Based on the first twelve recurrences derived analytically, the spin autocorrelation function （SAF） and associated spectral density at high temperature were obtained numerically. Our results indicate that when the standard deviation σg （or OrB） of the exchange couplings Ji （or the random transverse fields Bi） is small, no long-time tail appears in the SAE The spin system undergoes a crossover from a central-peak behavior to a collectivemode behavior, which is the dynamical characteristics of RTIM with the bimodal disorder. However, when σJ （or σB） is large enough, the system exhibits similar dynamics behaviors to those of the RTIM with the Gaussian disorder, i.e., the system exhibits an enhanced central-peak behavior for large σJ or a disordered behavior for large σB. In this instance, SAFs exhibit a similar long-time tail, i.e., C（t） ~ t ^-2 for large t. Similar properties are obtained when Ji （or Bi） satisfy the double-exponential distribution or the double-uniform distribution. Besides, when both the standard deviations and the mean values of the exchange couplings are small, the effects of the Gaussian random bonds may drive the system undergo two crossovers from a triplet state to a doublet state, and then to a collective-mode state.     

Study of spin sum rules （and the strong coupling constant at large distances）

We present recent results from Jefferson Lab on sum rules related to the spin structure of the nucleon. We then discuss how the Bjorken sum rule with its connection to the Gerasimov-Drell-Hearn sum, allows us to conveniently define an effective coupling for the strong force at all distances.     

Non-Markovianity of the Heisenberg XY spin environment with Dzyaloshinskii–Moriya interaction

Using the effective non-Markovian measure proposed by Breuer et al. recently, we study the memory effect of a central qubit system coupled to a spin chain environment with Dzyaloshinskii-Moriya interaction in a transverse field. It is discovered that the central qubit system presents different memory effects in different environment phases with the different oscillatory behaviors of the decoherence factor. Moreover, it is revealed that the Dzyaloshinskii-Moriya interaction has a prominent influence on the memory effect of a central qubit system via modifying the amplitude and period of the decoherence factor under certain conditions.     

Supersolid Phase in One-Dimensional Hard-Core Boson Hubbard Model with a Superlattice Potential

The ground state of the one-dimensional hard-core boson Hubbard model with a superlattice potential is studied by quantum Monte Carlo methods. We demonstrate that besides the CDW phase and the Mott insulator phase, the supersolid phase emerges due to the presence of the superlattice potential, which reflects the competition with the hopping term. We also study the densities of sublattices and have a clear idea about the distribution of the bosons on the lattice.     

The effect of k-cubic Dresselhaus spin–orbit coupling on the decay time of persistent spin helix states in semiconductor two-dimensional electron gases

We study the theoretical effect of k-cubic （i.e, cubic-in-momentum） Dresselhaus spin-orbit coupling on the decay time of persistent spin helix states in semiconductor two-dimensional electron gases. We show that the decay time of persistent spin helix states may be suppressed substantially by k-cubic Dresselhaus spin-orbit coupling, and after taking the effect of k-cubic Dresselhaus spin-orbit interaction into account, the theoretical results obtained accord both qualitatively and quantitatively with other recent experimental results.     

Spin symmetric solutions of Dirac equation with PSschl-Teller potential

The approximate analytical solutions of the Dirac equation with the Poeschl-Teller potential is presented for arbitrary spin-orbit quantum number κ within the framework of the spin symmetry concept. The energy eigenvalues and the corresponding two Dirac spinors are obtained approximately in closed forms. The limiting cases of the energy eigenvalues and the two Dirac spinors are briefly discussed.