Forbidden transition properties of fine-structure 2p~3 ~4S_(3/2)–2p~3 ~2D_(3/2,5/2) for nitrogen-like ions

Based on relativistic wave functions from multiconfiguration Dirac–Hartree–Fock and configuration interaction calculations, E2 and M1 transition probabilities of 2p~3 ~4S_(3/2)–2 p~3 ~2D_(3/2,5/2) are investigated in the nitrogen-like sequence with7 ≤ Z ≤ 16. The contributions of the electron correlations, Breit interaction, and the quantum electrodynamic(QED) effects on the transition properties are analyzed. The present results can be used for diagnosing plasma. In addition, several N-like ions can also be recommended as a promising candidate for a highly charged ion(HCI) clock with a quality factor(Q) of transition as high as 10~(20).     

M1 transition energy and rate in the ground configuration of Ag-like ions with 62 ≤ Z ≤ 94

Systematic calculations and assessments are performed for the magnetic dipole(M1)transition energies and rates between the ²F^o_5/2,7/2 levels in the ground configuration 4d104f along the Ag-like isoelectronic sequence with 62≤Z≤94 based on the second-order many-body perturbation theory implemented in the Flexible Atomic Code.The electron correlations,Breit interaction and quantum electrodynamics effects are taken into account in the present calculations.The accuracy and reliability of our results are evaluated through comprehensive comparisons with available measurements and other theoretical results.For transition energies,our results are in good agreement with the recent experimental data obtained from the electron beam ion traps within 0.18%.The maximum discrepancy between our results and those obtained with the large-scale multiconfiguration Dirac–Hartee–Fock calculations by Grumer et al.[Phys.Rev.A 89062501(2014)]is less than 0.13%along the isoelectronic sequence.Furthermore,the corresponding M1 transition rates are also reported.The present results can be used as the benchmark and useful for spectra simulation and diagnostics of astrophysical and fusion plasmas.     

Crystal characterization and optical spectroscopy of Eu~(3+)-doped CaGdAlO_4 single crystal fabricated by the floating zone method

A highly transparent Eu~(3+)-doped CaGdAlO_4(CGA) single crystal is grown by the floating zone method.The segregation coefficient,x ray diffraction,and x ray rocking curve are detected,and the results reveal that the single crystal is of high quality.The f –f transitions of Eu~(3+) in the host lattice are discussed.The ~5D_0–~7F_2 emission transition at 621 nm(red light) is dominant over the ~5D_0–~7F_1 emission transitions at 591 and 599 nm(orange light),agreeing well with the random crystal environment of Eu~(3+) ions in a CGA crystal.The decay time of Eu:~5D_0 is measured to be 1.02 ms.All the results show that the Eu:CGA crystal has good optical characterization and promises to be an excellent red-fluorescence material.     

Effects of electron correlation and the Breit interaction on one- and two-electron one-photon transitions in double K hole states of He-like ions(10 ≤ Z ≤ 47)

The x-ray energies and transition rates associated with single and double electron radiative transitions from the double K hole state 2s2p to the 1s2s and 1s^2 configurations of 11 selected He-like ions(10 ≤ Z ≤ 47) are calculated using the fully relativistic multi-configuration Dirac–Fock method(MCDF). An appropriate electron correlation model is constructed with the aid of the active space method, which allows the electron correlation effects to be studied efficiently. The contributions of the electron correlation and the Breit interaction to the transition properties are analyzed in detail. It is found that the two-electron one-photon(TEOP) transition is correlation sensitive. The Breit interaction and electron correlation both contribute significantly to the radiative transition properties of the double K hole state of the He-like ions. Good agreement between the present calculation and previous work is achieved. The calculated data will be helpful to future investigations on double K hole decay processes of He-like ions.     

Theoretical investigation of the pressure broadening D_1 and D_2 lines of cesium atoms colliding with ground-state helium atoms

Full quantum mechanical calculations are performed to determine the broadening in the far wings of the cesium D_1 and D_2 line shapes arising from elastic collisions of Cs atom with inert helium atoms. The potential energy curves of the low-lying CsHe molecular states, as well as the related transition dipole moments, are carefully computed from ab initio methods based on state-averaged complete active space self-consistent field–multireference configuration interaction(SACASSCF–MRCI) calculations, involving the spin–orbit effect, and taking into account the Davidson and BSSE corrections.The absorption and emission reduced coefficients are determined in the temperature and wavelength ranges of 323–3000 K and 800–1000 nm, respectively. Both profiles of the absorption and the emission are dominated by the free–free transitions,and exhibit a satellite peak in the blue wing near the wavelength 825 nm, attributed to B~2Σ_(1/2)~+→ X~2Σ_(1/2)~+/transitions. The results are in good agreement with previous experimental and theoretical works.     

Effects of Ni doping on the structural properties and collapse of magnetic ordering in NdFe_(1-x)Ni_xO_3(0.1 ≤x≤ 0.7) orthoferrites

Nd Fe_(1-x)Ni_xO_3(0.1 ≤ x ≤ 0.7) orthoferrites are synthesized by solid state reaction method, and the structural properties of these materials are investigated by employing x-ray diffraction(XRD), scanning electron microscopy(SEM) and M o¨ssbauer spectroscopy. The orthorhombic structure is observed in all systems; however, with the increase in Ni doping,the increase in tolerance factor and the decrease in the cell volume are observed. Orthorhombic distortion decreases with Ni content increasing up to 50%, while above 50% Ni doping it increases. SEM examination indicates the increases in grain size and intermixing of grains with increase in Ni concentration. Comparison between bulk and theoretical densities shows that in each of all samples porosity is less than 2%. M?ssbauer spectroscopic investigations are performed to explain local structure, Fe oxidation states and collapse of the magnetic ordering. In these samples the Fe oxidation state remains+3 and there is no considerable increase in hole states observed; however due to mismatch of the ionic radii between Fe~(3+) and Ni~(3+), octahedral distortions, sagging and distribution of hyperfine parameters increase with increase in Ni concentration. The major factors behind the collapse of magnetic ordering in the Ni-doped systems are the weakening of the super-exchange interactions, decrease in the Neel temperature, increase in spin–spin relaxation frequency and high spin to low spin transition.     

Role of vacancy-type defects in magnetism of GaMnN

Role of vacancy-type(N vacancy(VN) and Ga vacancy(VGa)) defects in magnetism of GaMnN is investigated by first-principle calculation.Theoretical results show that both the VNand VGainfluence the ferromagnetic state of a system.The VNcan induce antiferromagnetic state and the VGaindirectly modify the stability of the ferromagnetic state by depopulating the Mn levels in GaMnN.The transfer of electrons between the vacancy defects and Mn ions results in converting Mn~(3+)(d~4) into Mn~(2+)(d5).The introduced VNand the ferromagnetism become stronger and then gradually weaker with Mn concentration increasing,as well as the coexistence of Mn~(3+)(d~4) and Mn~(2+)(d~5) are found in GaMnN films grown by metal–organic chemical vapor deposition.The analysis suggests that a big proportion of Mn~(3+)changing into Mn~(2+)will reduce the exchange interaction and magnetic correlation of Mn atoms and lead to the reduction of ferromagnetism of material.     

Effect of co-doped metal caions on the properties of Y_2O_3:Eu~(3+) phosphors synthesized by gel-combustion method

Y_2O_3:Eu~(3+) phosphors co-doped with different metal cations(Li~+, Na~+, K~+, Mg~(2+), Ca~(2+)) are prepared by the gelcombustion method with Y_2O_3, Eu_2O_3, and R(NO3)x(R = Li, Na, K, Mg, Ca) serving as raw materials and glycine as fuel,calcined at 1000?C for 2h. The synthesized Y_2O_3:Eu~(3+) phosphors doped with different metal cations and doping ratios are characterized by x-ray diffractometry(XRD), fluorescence and phosphorescent spectrophotometer. The co-doping metal cations are advantageous to the development of Y_2O_3:Eu~(3+) lattice. All the samples can emit red light peaked at 611 nm under 254-nm excited. The luminescence intensities of co-doping samples are increased because the cations increase the electron transition probability of Eu~(3+) from ~5D_0 level to ~7F level. The fluorescence lifetime of Eu~(3+)(~5D_0→~7F_2) is increased by doping metal cations.     

Determination of hyperfine structure constants of 5D_(5/2) and 7S_(1/2) states of rubidium in cascade atomic system

We present a method to precisely determine the hyperfine structure constants of the rubidium 5D_(5/2) and 7S_(1/2) states in a cascade atomic system. The probe laser is coupled to the 5S_(1/2)→ 5P_(3/2) hyperfine transition, while the coupling laser is scanned over the 5P_(3/2)→ 5D_(5/2)(7S_(1/2)) transition. The high-resolution double-resonance optical pumping spectra are obtained with two counter-propagating laser beams acting on rubidium vapor. The hyperfine splitting structures are accurately measured by an optical frequency ruler based on the acousto-optic modulator, thus, the magnetic dipole hyperfine coupling constant A and quadrupole coupling constant B are determined. It is of great significance for the atomic hyperfine structure and fundamental physics research.     

Boron diffusion in bcc-Fe studied by first-principles calculations

The diffusion mechanism of boron in bcc-Fe has been studied by first-principles calculations. The diffusion coefficients of the interstitial mechanism, the B–monovacancy complex mechanism, and the B–divacancy complex mechanism have been calculated. The calculated diffusion coefficient of the interstitial mechanism is D_0= 1.05 ×10~(-7)exp(-0.75 e V/k T) m~2· s~(-1), while the diffusion coefficients of the B–monovacancy and the B–divacancy complex mechanisms are D_1= 1.22 × 10~(-6)f1exp(-2.27 e V/k T) m~2· s~(-1)and D_2≈ 8.36 × 10~(-6)exp(-4.81 e V/k T) m~2· s~(-1), respectively. The results indicate that the dominant diffusion mechanism in bcc-Fe is the interstitial mechanism through an octahedral interstitial site instead of the complex mechanism. The calculated diffusion coefficient is in accordance with the reported experiment results measured in Fe–3%Si–B alloy(bcc structure). Since the non-equilibrium segregation of boron is based on the diffusion of the complexes as suggested by the theory, our calculation reasonably explains why the non-equilibrium segregation of boron is not observed in bcc-Fe in experiments.     

Time-resolved spectroscopy for 5s~('4)D_(7/2) state transitions undergoing electron–ion recombination in femtosecond laser-produced copper plasma

In the femtosecond laser-produced Cu-plasma, the transient transition dynamics that the excited state 5s~('4)D_(7/2) via electron–ion recombination transfers to 4p~('4)F_(9/2)~0(465.11 nm, Λ1 line) and 4p~('4)D_(7/2)~0(529.25 nm, Λ_2 line) states are investigated by using the time-resolved spectroscopy. The occupation number and relevant lifetime of the excited state 5s~('4)D_(7/2),the temporal evolutions of spectral intensities for Λ_1 line and Λ_2 line emissions are demonstrated to be in direct proportion to the employed laser intensity, which reveals the transient features of transition dynamics clearly differing from that resulted in the traditional collision excitation. Furthermore, some unique characteristics for Λ_1 and Λ_2 transitions stemming from electron–ion recombination are examined in detail.     

Local microstructural analysis for Y_2O_3/Eu~(3+)/Mg~(2+) nanorods by Raman and photoluminescence spectra under high pressure

In this paper, we investigate the Raman and photoluminescence spectra of Y_2O_3/Eu~(3+) and Y_2O_3/Eu~(3+)/Mg~(2+) nanorods under high pressures using 514-nm and 532-nm laser light excitation. We observe transitions from the initial cubic phase to amorphous at pressures higher than 24 GPa for both Y_2O_3/Eu~(3+) and Y_2O_3/Eu~(3+)/Mg~(2+) nanorods. In addition, Y_2O_3/Eu~(3+) and Y_2O_3/Eu~(3+)/Mg~(2+) nanorods exhibit different distorted states after the pressure has been raised to 8 GPa. The analyses of intensity ratios, I_(0-2)/I_(0-1) from ~5D_(0–)~7F2_to~5D_(0–)~7F_1and I_(0-2)A/B of ~5D_(0–)7F_2 transitions indicate that Y_2O_3/Eu~(3+)/Mg~(2+) nanorods exhibit stronger local micro-surrounding characteristics for Eu~(3+) ions in a pressuremodulated crystal field. The doped Mg2+ion results in reducing the crystal ionicity in the distorted lattice state under high pressures. The use of doped ions as an ion modifier can be applied to the study of small local microstructural changes through Eu~(3+) luminescence.     

Spectroscopic properties of neodymium-doped tellurite glass fiber

Nd~(3+)-doped tellurite glass and a single mode tellurite glass fiber with a core diameter of 8 μm were prepared in this work. The 1.33-μm emission from the ~4F_(3/2)→~4I_(13/2) transition of Nd~(3+) with a spectral bandwidth of 55 nm in tellurite glass fiber is observed. The lifetime of 164 μs of ~4F_(3/2) level and quantum efficiency of about 100% are obtained.     

Configuration interaction study on low-lying states of AlCl molecule

High-level ab initio calculations of the Λ–S states for aluminum monoiodide(Al Cl) molecule are performed by utilizing the explicitly correlated multireference configuration interaction(MRCI-F12) method. The Davidson correction and scalar relativistic correction are investigated in the calculations. Based on the calculation by the MRCI-F12 method, the spin–orbit coupling(SOC) effect is investigated with the state-interacting technique. The adiabatic potential energy curves(PECs) of the 13 Λ–S states and 24 Ω states are calculated. The spectroscopic constants of bound states are determined,which are in accordance with the results of the available experimental and theoretical studies. Finally, the transition properties of 0~+(2)–X0~+, 1(1)–X0~+, and 1(2)–X0~+ transitions are predicted, including the transition dipole moments(TDMs),Franck–Condon factors(FCFs), and the spontaneous radiative lifetimes.     

Favourable scenarios established by SMBI for the realization of the ELMy H-mode at HL-2A

The ELMy H-mode plasmas realized with the supersonic molecular beam injection(SMBI) are studied in relation to the energy confinement and the heating power for the L–H transition(P_(L-H) ) in the HL-2A tokamak. A database is assembled for this study based on the ELMy H-mode discharges during the experimental campaigns in the period 2009–2013at the HL-2A tokamak. The statistical results show that the SMBI is favourable for reaching the H-mode by reducing the heating power at the L–H transition and for the H-mode performance by improving the energy confinement compared with the ordinary gas puffing(GP). The reduction of P_(L-H) is about 20% when the density is low, and the energy confinement enhancement factor of H_(H98y2)= τ_E/τ_(th,98y2) ≈ 1.5 is achieved with the SMBI. Note that in the database the density dependence of P_(L-H) is non-monotonic with the ˉne,min≈ 3×10~(19) m~(-3) at which the P_(L-H) is minimum. Most of P_(L-H) data are on the low density branch where the P_(L-H) increases with the decrease in density. The minimum of the P_(L-H) in HL-2A is comparable to the ITPA multi-machine threshold power scaling P_(thr■scal08). The physics behind the reduction of the P_(L-H) with the SMBI is also investigated in relation to the change of the density gradient at the plasma edge, the gas fuelling efficiency, and the recycling.     

Molecule opacities of X~2Σ~+, A~2Π, and B~2Σ~+ states of CS~+

Carbon sulfide cation(CS~+) plays a dominant role in some astrophysical atmosphere environments. In this work, the rovibrational transition lines are computed for the lowest three electronic states, in which the internally contracted multireference configuration interaction approach(MRCI) with Davison size-extensivity correction(+Q) is employed to calculate the potential curves and dipole moments, and then the vibrational energies and spectroscopic constants are extracted. The Frank–Condon factors are calculated for the bands of X~2~+Σ~+–A~2Π and X~2Σ~+–B~2Σ~+systems, and the band of X~2Σ~+–A~2Π is in good agreement with the available experimental results. Transition dipole moments and the radiative lifetimes of the low-lying three states are evaluated. The opacities of the CS~+ molecule are computed at different temperatures under the pressure of 100 atms. It is found that as temperature increases, the band systems associated with different transitions for the three states become dim because of the increased population on the vibrational states and excited electronic states at high temperature.     

Different effects of Ce-doping on orbital and spin ordering in perovskite vanadate Sm_(1-χ)Ce_χ VO_3

The effects of Ce-doping on the phase transition of the orbital/spin ordering (OO/SO) are studied through the structural, magnetic, and electrical transport measurements of perovskite vanadate Sm1 x Ce x VO 3 . The measurements of structure show that the cell volume decreases as x≤ 0.05, and then increases as Ce-doping level increases further. The OO state exists but is suppressed progressively in the sample with x≤0.2 and disappears as x0.2. The temperature at which the C-type SO transition is present increases monotonically with Ce-doping level increasing. The temperature dependence of resistivity for each of the samples shows a semiconducting transport behavior and the transport can be well described by the thermal activation model. The activation energy first decreases as x ≤0.2, and then increases for further doping. The obtained results are discussed in terms of the mixed-valent state of the doped-Ce ions.     

Anisotropic and mutable magnetization in Kondo lattice CeSb_2

We have systematically studied the behaviors of the resistivity and magnetization of CeSb_2 single crystals as a function of temperature and external field. Four anomalies in the resistivity/magnetization-versus-temperature curves are observed at low magnetic field. They are located at 15.5 K, 11.5 K, 9.5 K, and 6.5 K, corresponding to the paramagnetic–magnetically ordered state(MO), MO-antiferromagnetic(AFM), AFM–AFM, and AFM–ferromagnetic(FM) transitions, respectively.The anomaly at 9.5 K is only visible with H‖[010] by magnetic susceptibility measurements, indicating that the AFM–AFM transition only happens along [010] direction in ab-plane. The four magnetic transitions are strongly suppressed by high external field. Finally, the field-temperature phase diagrams of CeSb_2 with different orientations of the applied field in ab-plane are constructed and indicate the highly anisotropic nature of the magnetization of CeSb_2.     

Simulations of the L-H transition dynamics with different heat and particle sources

It is crucial to increase the total stored energy by realizing the transition from a low confinement(L-mode) state to a high confinement(H-mode) state in magnetic confinement fusion. The L–H transition process is simulated by using the predictive transport code based on Weiland's fluid model. Based on the equilibrium parameters obtained from equilibrium fitting(EFIT) in the experiment, the electron density n e, electron temperature T e, ion temperatures T i, ion poloidal V p,and toroidal momenta V t are simulated self-consistently. The L–H transition dynamic behaviors with the formation of the transport barriers of ion and electron temperatures, the electron density, and the ion toroidal momenta are analyzed. During the L–H transition, the strong poloidal flow shear in the edge transport barrier region is observed. The crashes of the electron and ion temperature pedestals are also observed during the L–H transition. The effects of the heating and particle sources on the L–H transition process are studied systematically, and the critical power threshold of the L–H transition is also found.     

Piezoelectric and electro optic properties of tetragonal(1-x)Pb(Mg_(1/3)Nb_(2/3))O_3-xPbTiO_3 single crystals by phenomenological theory

An eighth-order Landau–Devonshire theory is constructed to investigate the piezoelectric and electro–optic properties of tetragonal(1- x)Pb(Mg1/3Nb2/3)O3–x Pb Ti O3 single crystals(x = 0.38 and x = 0.4). The dielectric stiffness coefficients of the Landau potential are obtained by fitting to the dielectric properties and the phase transition temperature between cubic phase and tetragonal phase. It is indicated that tetragonal(1- x)Pb(Mg1/3Nb2/3)O3–x Pb Ti O3 single crystals have the firstorder cubic-tetragonal phase transitions. The dielectric constants are in great agreement with the experimental results.The piezoelectric coefficients d33 and d31at room temperature are about 145 p C/N and-62 p C/N respectively which are smaller than that of(1- x)Pb(Mg1/3Nb2/3)O3–x Pb Ti O3 single crystals around the morphotropic phase boundary.Moreover, tetragonal(1- x)Pb(Mg1/3Nb2/3)O3–x Pb Ti O3 single crystals have the linear electro–optic coefficients rc =33.7 pm/V and rc = 28.8 pm/V for x = 0.38 and x = 0.4, respectively which are in accordance with the measurements.