Magneto-optical trapping of bosonic and fermionic neon isotopes and their mixtures: isotope shift of the 3P2 ↔ 3D3 transition and hyperfine constants of the 3D3 state of 21Ne

We have magneto-optically trapped all three stable neon isotopes, including the rare ²¹Ne, and all two-isotope combinations. The atoms are prepared in the metastable ³P₂ state and manipulated via laser interaction on the ³P₂ ? ³D₃ transition at 640.2?nm. These cold (T ≈ 1?mK) and environmentally decoupled atom samples present ideal objects for precision measurements and the investigation of interactions between cold and ultracold metastable atoms. In this work, we present accurate measurements of the isotope shift of the ³P₂ ? ³D₃ transition and the hyperfine interaction constants of the ³D₃ state of ²¹Ne. The determined isotope shifts are (1625.9 ± 0.15)?MHz for ²⁰Ne ? ²²Ne, (855.7 ± 1.0)?MHz for ²⁰Ne ? ²¹Ne, and (770.3 ± 1.0)?MHz for ²¹Ne ? ²²Ne. The obtained magnetic dipole and electric quadrupole hyperfine interaction constants are A(³D₃) = (?142.4 ± 0.2)?MHz and B(³D₃) = (?107.7 ± 1.1)?MHz, respectively. All measurements give a reduction of uncertainty by about one order of magnitude over previous measurements.     

First-principles study of the （001） surface of cubic PbHfO3 and BaHfO3

Using first-principles techniques,we investigate the(001) surfaces of cubic PbHfO3(PHO) and BaHfO3(BHO) terminated with both AO(A=Pb and Ba) and HfO2.Surface structure,partial density of states,band structure,and surface energy are obtained.The BaO surface is found to be similar to its counterpart in BHO.For the HfO2-terminated surface of cubic PHO,the largest relaxation appears on the second-layer atoms but not on the first-layer ones.The analysis of the structure relaxation parameters reveals that the rumpling of the(001) surface for PHO is stronger than that for BHO.The surface thermodynamic stability is explored,and it is found that both the PbO-and the BaO-terminated surfaces are more stable than the HfO2-terminated surfaces for PHO and BHO,respectively.The surface energy calculations show that the(001) surface of PHO is more easily constructed than that of BHO.     

Temperature dependence of nitrogen and oxygen broadening of the 16O3 ν 3 band

High-resolution Fourier transform absorption spectra of ozone broadened by N₂ and O₂ have been recorded at room temperature and at 225 K. Nitrogen- and oxygen-broadened half-widths and their temperature dependence for respectively 160 ro-vibrational transitions on the ¹⁶O₃ ν ₃ band with a wide range of rotational quantum numbers J (2–48) and K_a (0–8) have been determined.     

Assignments of the 13C NMR Spectra of Enhydrin and 2′,3′-Dehydromelnerin A and the Molecular Structure of Enhydrin

Abstract

Two melampolide-type sesquiterpene lactones, enhydrin and 2,′ 3′-dehydromelnerin A, were isolated from a Louisiana population of Polymnia uvedalia. Their ¹³C NMR spectra were assigned using ¹³C-¹H correlation, DEPT and COLOC experiments. The molecular structure of enhydrin was established by single crystal X-ray diffraction.     

Effects of charge on the structures and spin moments of Nil3 cluster

The structural stability and magnetic properties of the icosahedral Ni13, Ni13^＋1 and Ni13^-1 clusters have been obtained by utilizing all-electron density functional theory with the generalized gradient approximations for the exchange-correlation energy. The calculated results show that the ground states of neutral and charged clusters all favour a D3d structure, a distorted icosahedron, due to the Jahn-Teller effect. The radial distortions caused by doping one electron and by doping one hole are opposite to each other. Doping one electron will result in a 1/2 decrease and doping one hole will result in a 1/2 increase of the total spin. Both increasing interatomic spacing and decreasing coordination will lead to an enhancement of the spin magnetic moments for Nil3 clusters.     

A new proof of the existence and nontriviality of the continuum ϕ 2 4 and ϕ 3 4 quantum field theories

We use Schwinger-Dyson equations combined with rigorous “perturbation-theoretic” correlation inequalities to give a new and extremely simple proof of the existence and nontriviality of the weakly-coupled continuum ? ₂ ⁴ and ? ₃ ⁴ quantum field theories, constructed as subsequence limits of lattice theories. We prove an asymptotic expansion to order λ or λ² for the correlation functions and for the mass gap. All Osterwalder-Schrader axioms are satisfied except perhaps Euclidean (rotation) invariance.     

Effects of the 3d transition metal doping on the structural,electronic, and magnetic properties of BeO nanotubesEffects of the 3d transition metal doping on the structural,electronic, and magnetic properties of BeO nanotubesEffects of the 3d transition metal doping on the structural,electronic, and magnetic properties of BeO nanotubes

First-principles calculations have been performed on the structural, electronic, and magnetic properties of seven 3d transition-metal （TM） impurities （V, Cr, Mn, Fe, Co, Ni, and Cu） doped armchair （5,5） and zigzag （8,0） beryllium oxide nanotubes （BeONTs）. The results show that there exists a structural distortion around the 3d TM impurities with respect to the pristine BeONTs. The magnetic moment increases for V- and Cr-doped BeONTs and reaches a maximum for Mn-doped BeONT, and then decreases for Fe-, Co-, Ni-, and Cu-doped BeONTs successively, consistent with the predicted trend of Hund＇s rule to maximize the magnetic moments of the doped TM ions. However, the values of the magnetic moments are smaller than the predicted values of Hund＇s rule due to the strong hybridization between the 2p orbitals of the near O and Be ions of BeONTs and the 3d orbitals of the TM ions. Furthermore, the V-, Co-, and Ni-doped （5,5） and （8,0） BeONTs with half-metal ferromagnetism and thus 100% spin polarization character are good candidates for spintronic applications.     

Λ 3 H and the role of spin-dependent forces in the Λ-N interaction

A variational method is used to calculate the binding energy of the hypertriton. The effects arising from the choice of N-N interaction potential, the form of the trial function, the number of variational parameters, and the choice of coordinate system are discussed. It is shown that if a central -N potential is assumed, the volume integral of the spin-dependent portion of the -N interaction is at most 10.5 MeV·F³.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii,.Fizika, No. 7, pp. 98–103, July, 1977.     

SIS accuracy and service performance of the BDS-3 basic system

On December 27,2018,the basic system of the third-generation BeiDou navigation satellite system(BDS-3)completed the deployment of its constellation of 18 MEO networking satellites as well as the construction of the operation control system(OCS)and began to provide basic navigation services to users worldwide.Compared with BDS-2,BDS-3 aims to offer users better navigation signals and higher precision with a series of new technologies.For example,the spaceborne atomic clock of BDS-3 is upgraded for higher performance,the Ka-band inter-satellite link is adopted for inter-satellite ranging and communication,and new B1C and B2a signals are broadcast in addition to B1I and B3I signals(compatible with BDS-2).In addition,a 9-parameter model based on a spherical harmonic function is employed for ionospheric delay corrections.Using the observation data from 18 satellites of the basic system,this paper conducts a comprehensive evaluation of the pseudorange measurement characteristics,signal-in-space(SIS)accuracy of navigation messages and global service capability of BDS-3.The results indicate that the pseudorange measurement multipath effect and observation noise of BDS-3 satellites are better than those of BDS-2;additionally,with the support of inter-satellite links,the user range error(URE)of the BDS-3 satellite broadcast ephemeris is better than 10 cm,the precision of the broadcast clock parameter is better than 1.5 ns,and the SIS accuracy is better than 0.6 m overall.Different from the traditional Klobuchar model,the BeiDou global broadcast ionospheric delay correction model(BDGIM)can provide ionospheric delay corrections better than 70%for worldwide single-frequency users.The service capability evaluation of the basic system consists mainly of the accuracy improvement of the B1I and B3I signals according to BDS-2 as well as the global positioning accuracy of the new signals.These results prove that the BDS-3 basic system has achieved the design goal;that is,both the horizontal and the vertical global positioning accuracies are better than 10 m(95%).In the future,6 MEO satellites as well as 3 GEO satellites and 3 IGSO satellites for regional enhancement purposes will be deployed for full operation;consequently,BDS-3 will definitely provide a higher SIS accuracy and better service capability.     

Three-alpha force and the 3-α model of12C

We postulate a Gaussian three-body potential amongα particles and adjust its parameters so that, when it is added to the Ali-Bodmerα-α potential, a good fit to experimental energies of low-lying 0⁺ and 2⁺ states of¹²C is achieved. With these potentials we made a linear variational calculation in a basis of harmonic oscillator functions which are translationally invariant, completely symmetric, and have a definite orbital angular momentum. We study the influence of this three-body potential on elastic and inelastic form factors, transition widths, Coulomb energy and charge radius of the 3-α system. The 3-α potential improved results found with the Ali-Bodmer potential alone. We find the 0 ₂ ⁺ state to be a (non-rigid) linear chain and the ground state to be a triangle ofα particles.     

Synthesis of Cubic Boron Nitride by the Reaction of Li3N and B2O3

Cubic boron nitride is synthesized by the reaction of Li3N and B203 under high pressure and high temperature （4.0-5.0 GPa, 1350-1500℃）. The minimum pressure of cBN formation is 4.0 GPa. The present condition of cBN formation is clearly lower than the eutectic temperature of Li3BN2 and BN in the Li3N-hBN system （5.5 GPa, 1610℃）. The content of cBN in the sample increases, while the content of hBN decreases with the temperature and pressure. The maximum conversion rate （5.0 GPa, 1500℃） is about 34%, which is higher than that in the hBN-Li3N system. The cBN crystals are octahedral or tetrahedral in shape and approximately 20 μm in diameter.     

The power and limits of the Judd—Ofelt theory: a case of Pr3+ and Tm3+ acetates and dipicolinates

Electronic absorption spectra of crystals and solutions of praseodymium and thulium acetates and dipicolinates are reported. The influence of spectral properties of both ligands on intensities of the f—f transitions in the crystals studied is discussed. In the near-IR region, overtone vibrations of ligands are strongly coupled with the f—f transitions, particularly with the hypersensitive ones. In the UV spectral range, absorption bands of the π → π?, n → π? and possible charge transfer of metal ? ligand transitions affect f—f transitions and should also be taken into account. The phenomenological Judd—Ofelt parameters evaluated for praseodymium complexes in solution and crystals are meaningless, because no set of intensities unbiased by ligand transitions and/or neighbouring f-d configurations is available. For Tm³⁺ compounds the Judd-Ofelt analysis has given quite good results, however no significant influence of the metal ion environment changes on the Ωλ parameters can be observed.     

Measurement of the stepwise excitation constants for the e3σ and b3σ states of CO in a plasma

Measurements have been made on the rate constants for the stepwise excitation SE of the e³ and b³ states of CO from the a³ metastable state of CO. The measurements were made in the positive column of a discharge in a mixture of He + 0.1% CO by the use of a heating pulse superimposed on the decaying plasma. It is shown to be possible to distinguish the direct excitation from the stepwise and to extract information on the SE cross sections for these states.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 88–92, September, 1984.We are indebted to I. V. Kochetov and V. G. Pevgov for calculations on the EED, and to E. E. Ivanov for providing the program for calculating the r centroid and the Frank-Condon factors.     

Measurements and calculations of He-broadening and -shifting parameters of the water vapor transitions of the ν 1 + ν 2 + ν 3 band

The water vapor line broadening and shift in the ν ₁?+?ν ₂?+?ν ₃ band induced by helium pressure were measured using a Bruker IFS 125HR FTIR spectrometer. The measurements were performed at room temperature at a spectral resolution of 0.01?cm^?1 and in a wide He pressure range. The shifting coefficients δ are mainly positive, in contrast to the line center shift induced by other mono-atomic gases. Calculations of the coefficients γ and δ were performed in the framework of the semi-classical method. The influence of the rotational dependence of the isotropic intermolecular potential and accidental resonances in the H₂O molecule on the shifting coefficients is discussed. Calculated values of line profile parameters are in a good agreement with observed parameters.     

Calculation of the phase diagram of the TiZr alloy and investigation of the tendency toward separation of the ω phase

The electronic, structural, and thermodynamic properties of the TiZr equiatomic alloy have been calculated in terms of the electron density functional theory and Debye-Grüneisen model. The calculated lattice parameters a and c/a agree well with experimental data for the α, ω, and β phases. It has been shown that the ω phase is stable at atmospheric pressure and low temperatures, and it remains energetically more favorable up to T = 600 K. In the temperature range 600 K < T < 900 K, the α phase becomes stable, and above 900 K, the β phase of the TiZr alloy is stable. The phase diagram constructed in this study agrees qualitatively with the available experimental data. A tendency toward separation of the TiZr equiatomic alloy in the ω phase has been analyzed. It has been demonstrated that, in the ground state, the TiZr equiatomic alloy in the ω phase exhibits a tendency toward ordering rather than toward phase separation.     

An approach to reduction of the real symmetric 3 × 3 secular problem and applications

An original analytical method for casting a real three-dimensional symmetric matrix into its diagonal form along with explicit formulas for the corresponding eigenvectors is given. This is achieved by a two-step procedure relying on a nice geometrical parametrization of the rotational group SO(3) and the fundamental algebraic theorem about solutions of the polynomial equations.     

Study of the Defect Structure and Crystal-Field Parameters of α-Al2O3:Yb3+

The methods currently used for studying the defect structure of laser host crystals doped with transition metal or rare-earth ions have several drawbacks or limitations. This study proposes an alternative approach for obtaining optimized impurity structures using molecular dynamics calculation in conjunction with the superposition model. This new approach is specifically applied to a system named α-Al₂O₃:Yb³⁺, in which the simulated defect structure is used to fit the superposition model parameters directly onto the observed energy levels. Such an approach provides predicted values of crystal-field parameters, Zeeman splitting g-factor, and hyperfine structure constants. Moreover, the C_3v site symmetry is found to be a good approximation for the actual C₃ site of Yb³⁺, as doped in an α-Al₂O₃ crystal.     

Solution of Potts-3 and Potts-∞ matrix models with the equations of motion method

In this letter, we show how one can solve easily the Potts-3 + branching interactions and Potts-∞ matrix models, by the means of the equations of motion (loop equations). We give an algebraic equation for the resolvents of these models, and their scaling behaviour. This shows that the equations of motion can be a useful tool for solving such models.     

Vibrations of Au?? and FeAu?? nanoparticles and the limits of the Debye temperature concept

We present first-principles calculations of the vibrational density of states (VDOS), the specific heat and the mean-squared displacement of the five lowest-energy isomers of Au(13) and of two low-energy FeAu(12) nanoparticles. We find that the vibrational contributions to the Helmholtz energy do not affect the energy ordering of the isomers. As expected, for nanoparticles the vibrational density of states differs dramatically from the function proposed by the Debye model. We demonstrate that, for the nanoclusters we studied, the alternative calculations of the 'Debye temperature' yield significantly inconsistent results. We conclude that T(D) obtained from a particular thermodynamic property is neither applicable for deriving conclusions about other thermodynamic properties nor correlated with atomic bond strengths. Instead, in order to describe the temperature dependence of a nanoparticle's mean-squared displacement and its specific-heat capacity, what is necessary is its discrete phonon spectrum.     

Calculation of the Tautomeric Properties of 3‐Formyl‐Tetrinic Acid by the ab initio and DFT Methods

We have carried out a nonempirical quantumchemical calculation with full optimization of the geometry of all theoretically possible tautomeric forms of 3formyltetrinic acid (FTRA) according to the Møller–Plesset secondorder perturbation theory with the use of a 6–31G(d) double zeta basis set. The correlation corrections to the total energy of molecules for optimized geometric configurations were calculated in the 631G(d,p) basis. All the possible tautomeric forms of FTRA and the harmonic vibrational frequencies were also calculated within the density functional theory (DFT) with the use of the Perdew–Burke–Ernzerhof (PBE) functional in a threeexponent basis. It is shown that FTRA in vapors (in the perfect gas approximation) exists in the form of a mixture of three enol forms, among which two exoforms predominate. The frequencies and forms of normal vibrations for each cisenol tautomer in the region of vibrations of ketogroups and double bonds differ widely, which permits identification of the tautomers present in the mixture. The possible mechanisms of enolenol transformations of 3acyltetrinic acids are discussed.