Mutual recombination in slow Si^＋ ＋ H^- collisions

This paper studies the process of mutual neutralization of Si^＋ and H^- ions in slow collisions within the multichannel Landau-Zener model. All important ionic-covalent couplings in this collision system are included in the collision dynamics. The cross sections for population of specific final states of product Si atom are calculated in the CM energy range 0.05 e∨/u-5 ke∨/u. Both singlet and triplet states are considered. At collision energies below -10 e∨/u, the most populated singlet state is Si（3p4p, ^1S0）, while for energies above -150e∨/u it is the Si（3p, 4p, ^1P1） state. In the case of triplet states, the mixed 3p4p（^3S1 ＋^3P0） states are the most populated in the entire collision energy range investigated. The total cross section exhibits a broad maximum around 200 300e∨/u and for ECM ≤ 10e∨/u it monotonically increases with decreasing the collision energy, reaching a value of 8 × 10^-13 cm^2 at ECM = 0.05 e∨/u. The ion-pair formation process in Si（3p^2 ^3PJ）＋H（1s） collisions has also been considered and its cross section in the considered energy range is very small （smaller than 10^-20 cm^2 in the energy region below 1 ke∨/u）.     

30-5000eV的电子被若干分子散射的总截面计算的一种修正势方法

利用可加性规则，使用Hartree-Fock波函数，采用由束缚原子概念修正过的复光学势，在30~5000eV这一较大的能域内对电子被N2、NO、NO2、CH4、CF4、CF3H、C2H2及C2H4散射的总截面进行了计算。束缚原子不同于自由原子之处，是束缚原子概念考虑了不同分子中的不同的电子云重叠情况，并根据电子云的重叠情况对复光学势进行修正。文中，将定量的计算结果与实验结果及其它理论计算结果进行了比较，结果显示出在30~5000eV内，计算结果与实验结果及其它理论计算结果间有较好的一致性。同时结果也表明，在较低的能量下，尤其是当入射电子的能量低于500eV时，利用被束缚原子概念修正过的复光学势进行计算得到的结果，要比利用未被束缚原子概念修正的复光学势计算得到的结果更接近于实验值。因此，在复光学势中考虑电子云的重叠效应可改善电子被分子散射的总截面的计算精度。     

Anisotropic properties of TaS2

The anisotropic properties of 1T- and 2H-TaS2 axe investigated by the density functional theory within the framework of full-potential linearized augmented plane wave method. The band structures of 1T- and 2H-TaS2 exhibit anisotropic properties and the calculated electronic specific-heat coefficient γ of 2H-TaS2 accords well with the existing experimental value. The anisotropic frequency-dependent dielectric functions including the effect of the Drude term are analysed, where the ε^xx（ω） spectra corresponding to the electric field E perpendicular to the z axis show excellent agreement with the measured results except for the ε1^xx（ω） of 1T-TaS2 below the energy level of 2.6 eV which is due to the lack of the enough CDW information for reference in our calculation. Furthermore, based on the values of optical effective mass ratio P of 1T and 2H phases it is found that the anisotropy in 2H-TaS2 is stronger than that in 1T-TaS2.     

Cross-channel coupling in positron-atom scattering

Coupled-state calculations including positronium channels are reported for positron scattering by atomic hydrogen, lithium and sodium. Integrated cross sections and total cross sections are presented for all three atoms. For lithium differential cross sections are also given. Throughout, comparison is made between results calculated with and without inclusion of the positronium channels. S-wave cross sections for positron scattering by atomic hydrogen in the Ps(1s, 2s, 2p)+H(1s, 2s, 2p) approximation show the high energy resonance first observed by Higgins and Burke in the coupled-static approximation. This resonance has now moved up to 51.05 eV and narrowed in width to 2.92 eV. Other pronounced structure is seen in the S-wave cross sections between 10 and 20 eV; it is tentatively suggested that this structure may be due to the formation of a temporary pseudo-molecular collision complex. Results calculated in the Ps(1s, 2s, , 2p, ,+H(1s, 2s, , 2p, approximation show convergence towards accurate values in the energy region below and in the Ore gap. Contrary to previous work on lithium using only an atomic basis, it is found that coupling to the 3d state of lithium is not so important when positronium channels are included; this is because a mixed basis of atom and positronium states gives a more rapidly convergent approximation than an expansion based on atom states alone. The threshold behaviour of the elastic cross section and the Ps(1s) formation cross section for lithium is investigated. Results in the Ps(1s, 2s, 2p)+Na(3s, 3p) approximation for sodium show good agreement with the total cross section measurements of Kwan et al.     

Ab initio calculation of the growth of Te nanorods and Bi2Te3 nanoplatelets

In this paper the growth mechanism of a Te/Bi$_{2}$Te$_{3}$ novel structure is studied by \textit{ab-initio} calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different crystalline Te surfaces. The adsorption energy of Te on the Te (001) surface is 3.29 eV, which is about 0.25 eV higher than that of Te on the Te (110). This energy difference makes the preferential growth direction along the $<001>$ direction. In addition, the higher surface energy of Bi$_{2}$Te$_{3}$ (110) and the lattice misfit between crystalline Bi$_{2}$Te$_{3}$ and Te along $<001>$ direction are considered to explain the growth of the Bi$_{2}$Te$_{3}$ nanoplatelets, in which Volmer--Weber model is used. The theoretical results are in agreement with experimental observation.     

Enhanced interface properties of diamond MOSFETs with Al_2O_3 gate dielectric deposited via ALD at a high temperature

The interface state of hydrogen-terminated(C–H) diamond metal–oxide–semiconductor field-effect transistor(MOSFET) is critical for device performance. In this paper, we investigate the fixed charges and interface trap states in C–H diamond MOSFETs by using different gate dielectric processes. The devices use Al_2O_3 as gate dielectrics that are deposited via atomic layer deposition(ALD) at 80℃ and 300℃, respectively, and their C–V and I–V characteristics are comparatively investigated. Mott–Schottky plots(1/C~2–VG) suggest that positive and negative fixed charges with low density of about 1011 cm~(-2) are located in the 80-℃-and 300-℃ deposition Al_2O_3 films, respectively. The analyses of direct current(DC)/pulsed I–V and frequency-dependent conductance show that the shallow interface traps(0.46 e V–0.52 e V and0.53 e V–0.56 e V above the valence band of diamond for the 80-℃ and 300-℃ deposition conditions, respectively) with distinct density(7.8 × 10~(13) e V~(-1)·cm~(-2)–8.5 × 10~(13) e V-1·cm~(-2) and 2.2 × 1013 e V~(-1)·cm~(-2)–5.1 × 10~(13) e V~(-1)·cm~(-2) for the80-℃-and 300-℃-deposition conditions, respectively) are present at the Al_2O_3/C–H diamond interface. Dynamic pulsed I–V and capacitance dispersion results indicate that the ALD Al_2O_3 technique with 300-℃ deposition temperature has higher stability for C–H diamond MOSFETs.     

Electron scattering from trans 1,3-butadiene molecule: cross-sections, oscillator strength and VUV photoabsorption cross-sections

Electron energy-loss spectra for the butadiene molecule were measured in the scattering angular range of 2.0° to 8.0°, in an energy-loss range from 2 to 50 eV, using 1000 eV incident electrons. The absolute generalized oscillator strength (GOS) and inelastic cross section have been determined for the \hbox{$\tilde{\rm X}^{1}$}?X1A _g  → 1¹B _u transition. The absolute elastic differential cross section was also determined spanning an angular range from 2.0° to 40.0°. From a small angle electron energy-loss spectrum, the optical oscillator distribution (photoabsorption spectrum) for the butadiene molecule was obtained in the 2 to 100 eV photon energy range. Accurate ab initio calculations have been performed, within the First Born Approximation, for generalized oscillator strength (GOS) and excitation energies for the \hbox{$\tilde{\rm X}^{1}$}?X1A _g  → 1¹B _u and \hbox{$\tilde{\rm X}^{1}$}?X1A _g  → 2¹A _g transitions. Our results emphasize the importance of using highly correlated wavefunctions and accurate methodologies in the calculation of the GOS for electron impact-induced electronic transitions in molecules.     

Ac vortex-dependent torsional oscillation response and onset temperature T0 in solid 4He

Detailed studies of ac velocity V_{ac} and T dependence of torsional oscillator responses of solid 4He are reported. A characteristic onset temperature T_{0} approximately 0.5 K is found, below which a significant V_{ac}-dependent change occurs in the energy dissipation for the samples at approximately 32 bar and for one at 49 bar. A V_{ac} dependence of the so-called "nonclassical rotational inertia" fraction also appears below approximately T_{0}. The log(V_{ac}) linear dependence, which suggests involvement of quantized vorticies, was examined in the nonclassical rotational inertia fraction. We find a common 1/T;{2} dependence for this linear slope change in all of the samples for 30相似文献   

A b initio calculation of the growth of Te nanorods and Bi2Te3 nanoplatelets

In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different crystalline Te surfaces. The adsorption energy of Te on the Te （001） surface is 3.29 eV, which is about 0.25 eV higher than that of Te on the Te （110）. This energy difference makes the preferential growth direction along the 〈 001 〉 direction. In addition, the higher surface energy of Bi2Te3 （110） and the lattice misfit between crystalline Bi2We3 and Te along 〈 001 〉 direction are considered to explain the growth of the Bi2Te3 nanoplatelets, in which Volmer-Weber model is used. The theoretical results are in agreement with experimental observation.     

CPT Violation in Neutrino Oscillation and Matter Effects

There is good agreement between the neutrino mass square difference determined from the solar neutrino and anti-neutrino mass square difference from the KamLAND reactor antineutrino. We consider as special case of matter density profile, which are relevant for neutrino oscillation physics. In particular, we compute to constrain a specific from of CPT violation in matter by upper bound, $|\varDelta_{21}^{m}-\overline{\varDelta_{21}^{m}}| \ll 1.098\times10^{-4}~\mathrm{eV}^{2}$ and $|\sin2\theta_{12}^{m}-\sin2\bar{\theta}_{12}^{m}|<0.0057$ . In this paper, we discuss CPT violation on neutrino oscillation in matter. The dispersion relation for the CPT violation in neutrino oscillation in matter are discussed.     

Probing the superconducting energy gap from infrared spectroscopy on a Ba0.6K0.4Fe2As2 single crystal with Tc=37 K

We performed optical spectroscopy measurement on a superconducting Ba0.6K0.4Fe2As2 single crystal with T{c}=37 K. Formation of the superconducting energy gaps in the far-infrared reflectance spectra below T{c} is clearly observed. A flat and close to unity reflectance is observed roughly below 150 cm;{-1} for Tor=T{c}. We determined the absolute value of the penetration depth at 10 K as lambda approximately 2000+/-80 A. A spectral weight analysis shows that the Ferrell-Glover-Tinkham sum rule is satisfied at low energy scale, less than 6Delta.     

Wirkungsquerschnitte für die Anregung von Molekülschwingungen durch schnelle Elektronen

The differential cross section for the excitation of infra-red inactive and — in dipole approximation — infra-red active fundamental vibrations by fast electrons is calculated. The energy loss spectra of CO₂, N₂O, C₂H₄ are measured with 33 keV electrons in the small energy loss range up to 0.5 eV. The experimentally determined “particular” cross sections

$$\sigma = \int\limits_{\vartheta = 0}^{1.1 \cdot 10^{ - 4} } {d\sigma }$$     

A comparison of chlorobenzene and benzene adsorption on Pt{001}

Angle-resolved photoemission measurements are used to compare the room temperature adsorption of benzene and chlorobenzene on a Pt{001} surface. From the polar emission angle dependence of the intensities, the molecular orientation is determined. The chlorine 3p “lone-pair” electrons are identified at 5.5 eV below the Fermi level by comparison with gas phase spectra. The changes in the work function on adsorption are noted for each species.     

Newest results from the Mainz neutrino-mass experiment

The Mainz neutrino-mass experiment investigates the endpoint region of the tritium β-decay spectrum with a MAC-E spectrometer to determine the mass of the electron antineutrino. By the recent upgrade, the former problem of dewetting T₂ films has been solved, and the signal-to-background ratio was improved by a factor of 10. The latest measurement leads to $m_\nu ^2 = - 3.7 \pm 5.3(stat.) \pm 2.1(syst.){{eV^2 } \mathord{\left/ {\vphantom {{eV^2 } {c^4 }}} \right. \kern-0em} {c^4 }}$ , from which an upper limit of $m_\nu < 2.8{{eV^2 } \mathord{\left/ {\vphantom {{eV^2 } {c^2 }}} \right. \kern-0em} {c^2 }}(95\% C.L.)$ is derived. Some indication for the anomaly, reported by the Troitsk group, was found, but its postulated half-year period is contradicted by our data. To push the sensitivity on the neutrino mass below 1 eV/c ², a new larger MAC-E spectrometer is proposed. Besides its integrating mode, it could run in a new nonintegration operation MAC-E-TOF mode.     

Origin of the relaxor state in Pb(B{x}B{1-x}{'})O(3) perovskites

Molecular dynamics simulations of first-principles-based effective Hamiltonians for Pb(Sc{1/2}Nb{1/2})O(3) under hydrostatic pressure and for Pb(Mg{1/3}Nb{2/3})O(3) at ambient pressure show clear evidence of a relaxor state in both systems. The Burns temperature is identified as the temperature below which dynamic nanoscale polar clusters form, pinned to regions of quenched chemical short-range order. The effect of pressure in Pb(Sc{1/2}Nb{1/2})O(3) demonstrates that the stability of the relaxor state depends on a delicate balance between the energetics that stabilize normal ferroelectricity and the average strength of random local fields which promote the relaxor state.     

Incommensurate-commensurate magnetic phase transition in double tungstate Li2Co(WO4)2

Magnetic susceptibility, specific heat, and neutron powder diffraction measurements have been performed on polycrystalline Li$_{2}$Co(WO$_{4}$)$_{2}$ samples. Under zero magnetic field, two successive magnetic transitions at $T_{\rm N1}\sim 9.4$ K and $T_{\rm N2}\sim 7.4$ K are observed. The magnetic ordering temperatures gradually decrease as the magnetic field increases. Neutron diffraction reveals that Li$_{2}$Co(WO$_{4}$)$_{2}$ enters an incommensurate magnetic state with a temperature dependent $\bm k$ between $T_{\rm N1}$ and $T_{\rm N2}$. The magnetic propagation vector locks-in to a commensurate value $\bm k = (1/2, 1/4, 1/4)$ below $T_{\rm N2}$. The antiferromagnetic structure is refined at 1.7 K with Co$^{2+}$ magnetic moment 2.8(1) $\mu_{\rm B}$, consistent with our first-principles calculations.     

Phase coherence of conduction electrons below the Kondo temperature

We have measured the phase decoherence rate tau_{varphi};{-1} of conduction electrons in disordered Ag wires implanted with 2 and 10 ppm Fe impurities, by means of the weak-localization magnetoresistance. The Kondo temperature of Fe in Ag, T_{K} approximately 4 K, is in the ideal temperature range to study the progressive screening of the Fe spins as the temperature T falls below T_{K}. The contribution to tau_{varphi};{-1} from the Fe impurities is clearly visible over the temperature range 40 mK-10 K. Below T_{K}, tau_{varphi};{-1} falls rapidly until T/T_{K} approximately 0.1, in agreement with recent theoretical calculations. At lower T tau_{varphi};{-1} deviates from theory with a flatter T-dependence. Understanding this anomalous dephasing for T/T_{K}<0.1 may require theoretical models with larger spin and number of channels.     

Impacts of dark energy on constraining neutrino mass after Planck 2018

Considering the mass splittings of three active neutrinos, we investigate how the properties of dark energy affect the cosmological constraints on the total neutrino mass $\sum {m}_{\nu }$ using the latest cosmological observations. In this paper, several typical dark energy models, including ΛCDM, wCDM, CPL, and HDE models, are discussed. In the analysis, we also consider the effects from the neutrino mass hierarchies, i.e. the degenerate hierarchy (DH), the normal hierarchy (NH), and the inverted hierarchy (IH). We employ the current cosmological observations to do the analysis, including the Planck 2018 temperature and polarization power spectra, the baryon acoustic oscillations (BAO), the type Ia supernovae (SNe), and the Hubble constant H₀ measurement. In the ΛCDM+$\sum {m}_{\nu }$ model, we obtain the upper limits of the neutrino mass $\sum {m}_{\nu }\lt 0.123\,\mathrm{eV}$ (DH), $\sum {m}_{\nu }\lt 0.156\,\mathrm{eV}$ (NH), and $\sum {m}_{\nu }\lt 0.185\,\mathrm{eV}$ (IH) at the 95% C.L., using the Planck+BAO+SNe data combination. For the wCDM+$\sum {m}_{\nu }$ model and the CPL+$\sum {m}_{\nu }$ model, larger upper limits of $\sum {m}_{\nu }$ are obtained compared to those of the ΛCDM+$\sum {m}_{\nu }$ model. The most stringent constraint on the neutrino mass, $\sum {m}_{\nu }\lt 0.080\,\mathrm{eV}$ (DH), is derived in the HDE+$\sum {m}_{\nu }$ model. In addition, we find that the inclusion of the local measurement of the Hubble constant in the data combination leads to tighter constraints on the total neutrino mass in all these dark energy models.     

Scaling of the low-temperature dephasing rate in Kondo systems

We present phase coherence time measurements in quasi-one-dimensional Ag wires doped with Fe Kondo impurities of different concentrations n_{s}. Because of the relatively high Kondo temperature T_{K} approximately 4.3 K of this system, we are able to explore a temperature range from above T_{K} down to below 0.01T_{K}. We show that the magnetic contribution to the dephasing rate gamma_{m} per impurity is described by a single, universal curve when plotted as a function of T/T_{K}. For T>0.1T_{K}, the dephasing rate is remarkably well described by recent numerical results for spin S=1/2 impurities. At lower temperature, we observe deviations from this theory. Based on a comparison with theoretical calculations for S>1/2, we discuss possible explanations for the observed deviations.     

Spin polarization effect for Cr2 molecule

Density functional theory （DFT） （B3P86） of Gaussian 03 has been used to optimize the structure of the Cr2 molecule, a transition metal element molecule. The result shows that the ground state for the Cr2 molecule is a 13- multiple state, indicating that there exists a spin polarization effect in the Cr2 molecule. Meanwhile, we have not found any spin pollution because the wave function of the ground state does not mingle with wave functions of higher-energy states. So the ground state for Cr2 molecule being a 13-multiple state is indicative of spin polarization effect of the Cr2 molecule among transition metal elements, that is, there are 12 parallel spin electrons in the Cr2 molecule. The number of non-conjugated electrons is greatest. These electrons occupy different spatial orbitals so that the energy of the Cr2 molecule is minimized. It can be concluded that the effect of parallel spin in the Cr2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell Sorbie potential functions with the parameters for the ground state and other states of the Cr2 molecule are derived. The dissociation energy De for the ground state of the Cr2 molecule is 0.1034eV, equilibrium bond length Re is 0.3396 nm, and vibration frequency we is 73.81cm^-1. Its force constants f2, f3 and f4 are 0.0835, -0.2831 and 0.3535 aJ. nm^-4 respectively. The other spectroscopic data for the ground state of the Cr2 molecule ωeχe, Be and αe are 1.2105, 0.0562 and 7.2938 x 10^-4cm^-1 respectively.