Microstructure, optical and electrical properties of nitrogen doped sp-rich a-C thin films grown by facing-target magnetron sputtering

N atoms were incorporated into sp²-rich a-C networks using DC facing-target reactive sputtering at various N₂ fraction (P_N2) and their structure and opto-electrical properties were investigated systematically. As P_N2 increases, the fraction of CN bonded carbons (or the N content) increases primarily at the expense of the CC bonded carbons and then reaches its saturated value at P_N2 > 40%. The incorporated N preferentially forms different kinds of non-aromatic CN phase, leading to more localization of π electrons and the loss of the connectivity of nanographite fragments in the films, which is different from the case in N-doped sp³-rich a-CN_x films. Hence, with increasing P_N2, the a-C(:N) film converts from a semiconductor with a narrower optical band gap to an insulator-like material with a wider gap. Additionally, the variation of optical constants (n and k) and spin defects are related to the enhancement of the non-aromatic CN phase.     

Electronic properties of one-dimensional systems with long-range correlated binary potentials

We study numerically the electronic properties of one-dimensional systems with long-range correlated binary potentials.The potentials are mapped from binary sequences with a power-law power spectrum over the entire frequency range,which is characterized by correlation exponent β.We find the localization length ξ increases with β.At system sizes N →∞,there are no extended states.However,there exists a transition at a threshold β c.When β > β c,we obtain ξ > 0.On the other hand,at finite system sizes,ξ≥ N may happen at certain β,which makes the system "metallic",and the upper-bound system size N (β) is given.     

Magnetic properties of Mn-doped GaN with defects: ab-initio calculations

According to first-principles density functional calculations,we have investigated the magnetic properties of Mn-doped GaN with defects,Ga 1-x-y V Gx Mn y N 1-z-t V Nz O t with Mn substituted at Ga sites,nitrogen vacancies V N,gallium vacancies V G and oxygen substituted at nitrogen sites.The magnetic interaction in Mn-doped GaN favours the ferromagnetic coupling via the double exchange mechanism.The ground state is found to be well described by a model based on a Mn 3+-d 5 in a high spin state coupled via a double exchange to a partially delocalized hole accommodated in the 2p states of neighbouring nitrogen ions.The effect of defects on ferromagnetic coupling is investigated.It is found that in the presence of donor defects,such as oxygen substituted at nitrogen sites,nitrogen vacancy antiferromagnetic interactions appear,while in the case of Ga vacancies,the interactions remain ferromagnetic;in the case of acceptor defects like Mg and Zn codoping,ferromagnetism is stabilized.The formation energies of these defects are computed.Furthermore,the half-metallic behaviours appear in some studied compounds.     

Investigation of electrical and photovoltaic properties of Au/poly(propylene glycol)-b-polystyrene/n-Si diode at various illumination intensities

Electrical and photovoltaic properties of Au/poly(propylene glycol)-b-polystyrene/n-Si diode were investigated under various illumination intensities. Field emission scanning electron microscope micrographs of the interfacial polymer layer were provided for verification of the nano-fibre pattern. The current–voltage (I–V) measurements of the diode in the dark and under various illumination intensities (50–250?mW/cm²) were carried out and the main electrical parameters of the diode such as leakage current (I₀), ideality factor (n), zero-bias barrier height (Φ_B0), series and shunt resistance (R_s and R_sh), density of surface states (N_ss), open circuit voltage (V_oc) and short-circuit current (I_sc) were obtained in these conditions.     

On the surface properties of a nanodiamond

The dependences of the specific surface energy, the surface tension, and the surface pressure on the size, the surface shape, and the temperature of a nanodiamond with a free surface have been investigated using the Mie-Lennard-Jones interatomic interaction potential. The nanocrystal has the form of a parallelepiped faceted by the (100) planes with a square base. The number of atoms N in the nanocrystal varies from 5 to ∞. The isothermal isomorphic dependences of the specific surface energy, its isochoric derivative with respect to the temperature, the surface tension, and the surface pressure on the nanodiamond size have been calculated at temperatures ranging from 20 to 4300 K. According to the results of the calculations, the surface energy under this conditions is positive, which indicates that the nanodiamond cannot be fragmented at temperatures up to 4300 K. The surface pressure for the nanodiamond P _sf (N) ∼ N ^−1/3 is considerably less than the Laplace pressure P _ls (N)^−1/3 ∼ N ^−1/3 for the same nanocrystal at the given values of the temperature, the density, and the number of atoms N. As the temperature increases from 20 to 4300 K, the lowering of the isotherm P _sf (N) is considerably more pronounced than that of the isotherm P _ls (N). At high temperatures, the isotherm P _sf (N) changes the shape of the size dependence and goes to the range of extension of small nanocrystals. It has been demonstrated that the lattice parameter of the nanodiamond can either decrease or increase with a decrease in the nanocrystal size. The most significant change in the lattice parameter of the nanodiamond is observed at temperatures below 1000 K.     

Effect of carbon black on properties of 0–3 piezoelectric ceramic/cement composites

0–3 cement-based piezoelectric composites were fabricated using sulphoaluminate cement and piezoelectric ceramic [0.08Pb(Li_1/4Nb_3/4)O₃ · 0.47PbTiO₃ · 0.45PbZrO₃] [P(LN)ZT] as raw materials by compressing technique. The influences of carbon black content on the piezoelectric and dielectric properties, electric conductivity and impedance were investigated. The results indicate that the piezoelectric strain constant d₃₃ and piezoelectric voltage constant g₃₃ of the composites increase gradually with a suitable carbon black addition. When the carbon black content is 0.3 wt%, both of the piezoelectric strain constant d₃₃ and piezoelectric voltage constant g₃₃ of the composite exist the maximum value, which are 17.45 pC N⁻¹ and 36.3 mV m N⁻¹, respectively. As the carbon black content increases, the dielectric constant ε_r, dielectric loss tanδ and electric conductivity σ of the composites all increase, while the impedance decreases. In the frequency range tested, the more the carbon black content, the higher the ε_r value. The planar electromechanical coupling coefficient K_p, the thickness electromechanical coupling coefficient K_t and the mechanical quality factor Q_m are almost unaffected by the carbon black content.     

Isospin properties of () reactions for the formation of deeply-bound antikaonic nuclei

The formation of deeply-bound antikaonic nuclear states in nuclear (K⁻,N) reactions is investigated theoretically within a distorted-wave impulse approximation (DWIA), considering the isospin properties of the Fermi-averaged elementary amplitudes. We calculate the formation cross sections of the deeply-bound states by the (K⁻,N) reactions on the nuclear targets, ¹²C and ²⁸Si, at incident K⁻ lab momentum p_K⁻=1.0 GeV/c and θ_lab=0°, introducing a complex effective nucleon number N_eff for unstable bound states in the DWIA. The results show that the deeply-bound states can be populated dominantly by the (K⁻,n) reaction via the total isoscalar ΔT=0 transition owing to the isospin nature of the amplitudes, and that the cross sections described by ReN_eff and ArgN_eff enable to deduce the structure of the nuclear states; the calculated inclusive nucleon spectra for a deep -nucleus potential do not show distinct peak structure in the bound region. The few-body and states formed in (K⁻,N) reactions on s-shell nuclear targets, ³He, ³H and ⁴He, are also discussed.     

Zn掺杂p型Ba8Ga16ZnxGe30－x笼合物的合成及热电性能

用熔融法结合放电等离子烧结方法合成了Zn掺杂单相p型Ge基Ⅰ型笼合物Ba₈Ga₁₆Zn_xGe_30-x(x=3, 4, 5, 6)，探索Zn取代Ge对其热电性能的影响规律，结果表明：所制备的Ba₈Ga₁₆Zn_xGe_30-x化合物为p型传导，随Zn取代量x关键词： p型笼合物 合成 热电性能     

Asymptotic magnetic behavior of gas transport properties

The nonvanishing elements of the viscosity and thermal conductivity tensors of polyatomic gases fall into two classes: those that change sign with a rotation about the magnetic field line and those that do not. It is shown that the boundedness of the linearized Waldmann-Snider collision operator and its properties under symmetry transformations imply that for linear Zeeman splitting the first class vanishes at zero and infinite field as ¦B ¦ and ¦B ¦^–1 and that the second class approaches its asymptotes as ¦B ¦² and ¦B ¦^–2.Supported by the Department of Naval Ordnance Systems Command N-00017-62-C-0604.     

Local properties of Coulombic wave functions

We investigate the local behaviour of solutions of a nonrelativistic Schrödinger equation which describe Coulombic systems. Firstly we give a representation theorem for such solutions in the neighbourhood of Coulombic singularities generalizing previous results (Cusp conditions) due to Kato and others. Secondly we investigate the influence of Fermi statistics on the local behaviour of many fermionic wave functions, showing that e.g. anN-electron wave function must have zeros of order at leastN ^4/3 for largeN.     

Optical properties of the ternary compound Cd<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Hg<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Se:Co

We present the results of experimental studies of the optical properties of cobalt-doped Cd _x H_1−x Se (x = 0.18) single crystals with cobalt ion concentrations of NCo = 5·10¹⁸, 5·10¹⁹, and 1·10²⁰ cm⁻³ at T = 90 K and 300 K. The composition (x = 0.18) of the Cd _x Hg_1−x Se solid solution was selected so that the hypothetical resonance level is found on the bottom of the conduction band. We show that the cobalt ions in the mercury selenide can form a resonance donor level only for cobalt concentrations N_Co < 5·10¹⁸ cm⁻³. For N_Co ∼ 5·10¹⁸ cm⁻³, the cobalt ions substitute for mercury atoms, forming a solid solution and leading to an increase in the bandgap width and a change in the physical properties. The solubility of cobalt in the HgSe lattice can be greater than 5%–10%. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 1, pp. 73–77, January–February, 2007.     

On the Spectroscopic Structure of Two Interacting Electrons in a Quantum Dot

The shifted 1/N expansion technique used by El-Said [Phys. Rev. B 61 (2000) 13026], to study the relative Hamiltonian of two interacting electrons confined in a quantum dot, is investigated. El-Said's results from shifted large-N (or 1/N) expansion technique are revised and results from an alternative method are also reported. The distinctive role of the central spike term, (m ²-1/4)/q ², in determining spectral properties of the above problem is shown, moreover.     

Thermodynamic properties of noble metal clusters:molecular dynamics simulation

The thermodynamics properties of noble metal clusters Au_N, Ag_N, Cu_N, and Pt_N (N = 80, 106, 140, 180, 216, 256, 312, 360, 408, 500, 628, 736, and 864) are simulated by micro-canonical molecular dynamics simulation technique. The potential energy and heat capacities change with temperature are obtained. The results reveal that the phase transition temperature of big noble metal clusters (N ⩾ 312 for Au, 180 for Ag and Cu, and 360 for Pt) increases linearly with the atom number slowly and approaches gently to bulk crystals. This phenomenon indicates that clusters are intermediate between single atoms and molecules and bulk crystals. But for the small noble clusters, the phase transition temperature changes irregularly with the atom number due to surface effect. All noble metal clusters have negative heat capacity around the solid-liquid phase transition temperature, and hysteresis in the melting/freezing circle is derived in noble metal clusters.     

Ga填充n型方钴矿化合物的结构及热电性能

用熔融退火结合放电等离子烧结(SPS)技术制备了具有不同Ga填充含量的Ga_xCo₄Sb₁₂方钴矿化合物,研究了不同Ga含量对其热电传输特性的影响规律. Rietveld结构解析表明,Ga占据晶体学2a空洞位置,Ga填充上限约为0.22,当Ga的名义组成x≤0.25时,样品的电导率、室温载流子浓度N_p随Ga含量的增加而增加,Seebeck系数随Ga含量的增加而减小. 室温下霍尔测试表明,每一个Ga授予框架0.9个电子,比Ga的氧化价态Ga³⁺小得多. 由于Ga离子半径相对较小,致使Ga填充方钴矿化合物的热导率κ及晶格热导率κ_L较其他元素填充的方钴矿化合物低. 当x＝0.22时对应的样品在300K时的热导率和晶格热导率分别为3.05Wm^-1·K^-1和 2.86Wm^-1·K^-1.在600K下Ga_0.22Co_4.0Sb_12.0样品晶格热导率达到最小,为1.83Wm^-1·K^-1,最大热电优值Z,在560K处达1.31×10^-3K^-1. 关键词： skutterudite化合物 Ga原子填充 结构 热电性能     

Thermodynamic and magnetic properties of the electron gas in the inhomogeneous magnetic field Hr−1

The nonrelativistic and relativistic energy eigenvalues of the electron in the inhomogeneous magnetic fieldH _z =Hr ⁻¹,r=(x ² +y ²)^1/2 are derived in a form displaying the explicit spin dependence. The possibility of magnetic hydrogen atom formation and the spontaneouse ⁺ e ⁻ pair creation following from these eigenvalues is mentioned. The expressions for pressure, energy, particle number and magnetic moment of an electron gas in this IMF are calculated in the degenerate limit. The possibility of spontaneous magnetisation,i.e., ferromagnetic behaviour, is established. Further, the pressure of the electron gas in the same type of fields is an order of magnitude higher than those in a homogeneous magnetic field and crossed homogeneous electric and magnetic fields for comparable field strengths.     

Transport properties of the disordered charged bose condensate in two dimensions

Analytical results for the frequency-dependent conductivity of a disordered two-dimensional interacting Bose condensate are presented. Charged and uncharged impurities are considered. We find that for weak disorder the condensate is a superfluid while for strong disorder it is an insulator (a Bose glass). At the superfluid-insulator transition point (at the critical boson densityN _c) the condensate exhibits metallic tranport properties. An loffe-Regel criterion for the transition point is derived. The conductivity at the transition point is of ordere ²/h (h is Planck's constant) and depends on the kind of disorder. For charged impurities (with impurity densityN _i) the conductivity (for a condensate of particles with charge 2e and forN _i=2N _c) at the transition point is given by _c =0.26x(2e)²/h. We discuss recent experiments on superconducting ultra-thin films and on high-T _c superconductors.     

Structure,thermodynamic and transport properties of imidazolium-based bis(trifluoromethylsulfonyl)imide ionic liquids from molecular dynamics simulations

Molecular dynamics (MD) simulations have been performed in order to investigate the properties of [C _n mim⁺][Tf₂N^?] (n?=?4,?8,?12) ionic liquids (ILs) in a wide temperature range (298.15?498.15?K) and at atmospheric pressure (1 bar). A previously developed methodology for the calculation of the charge distribution that incorporates ab initio quantum mechanical calculations based on density functional theory (DFT) was used to calculate the partial charges for the classical molecular simulations. The wide range of time scales that characterize the segmental dynamics of these ILs, especially at low temperatures, required very long MD simulations, on the order of several tens of nanoseconds, to calculate the thermodynamic (density, thermal expansion, isothermal compressibility), structural (radial distribution functions between the centers of mass of ions and between individual sites, radial-angular distribution functions) and dynamic (relaxation times of the reorientation of the bonds and the torsion angles, self-diffusion coefficients, shear viscosity) properties. The influence of the temperature and the cation's alkyl chain length on the above-mentioned properties was thoroughly investigated. The calculated thermodynamic (primary and derivative) and structural properties are in good agreement with the experimental data, while the extremely sluggish dynamics of the ILs under study renders the calculation of their transport properties a very complicated and challenging task, especially at low temperatures.     

Fission decay properties of ultra neutron-rich uranium isotopes

The fission decay of highly neutron-rich uranium isotopes is investigated which shows interesting new features in the barrier properties and neutron emission characteristics in the fission process. ²³³U and ²³⁵U are the nuclei in the actinide region in the beta stability valley which are thermally fissile and have been mainly used in reactors for power generation. The possibility of occurrence of thermally fissile members in the chain of neutron-rich uranium isotopes is examined here. The neutron number N = 162 or 164 has been predicted to be magic in numerous theoretical studies carried out over the years. The series of uranium isotopes around it with N = 154–172 are identified to be thermally fissile on the basis of the fission barrier and neutron separation energy systematics; a manifestation of the close shell nature of N = 162 (or 164). We consider here the thermal neutron fission of a typical representative ²⁴⁹U nucleus in the highly neutron-rich region. Semiempirical study of fission barrier height and width shows that ²⁵⁰U nucleus is stable against spontaneous fission due to increase in barrier width arising out of excess neutrons. On the basis of the calculation of the probability of fragment mass yields and the microscopic study in relativistic mean field theory, this nucleus is shown to undergo exotic decay mode of thermal neutron fission (multi-fragmentation fission) whereby a number of prompt scission neutrons are expected to be simultaneously released along with the two heavy fission fragments. Such properties will have important implications in stellar evolution involving r-process nucleosynthesis.      

Infrared angular spectroscopy characterization of epitaxial layers of n-type silicon grown on N+ or P+ substrates

Summary In this paper the technique of infrared angular spectroscopy applied to the characterization of epitaxial layers ofn-type silicon grown on N⁺ or P⁺ substrates is illustrated. Some results are reported and discussed concerning films having a free-carrier concentration ranging from 10¹⁴ cm⁻³ to 10¹⁷ cm⁻³ and thickness of the order of 10 μm. A significant comparison with results obtained by other techniques (four-point probe, spreading resistance,C−V plots, etc.) is performed and a few simple conclusions are drawn. To speed up publication, the authors of this paper have agreed to not receive the proofs for correction.     

The properties of liquid nitrogen

Measurements are reported of the nitrogen-nucleus spin-lattice relaxation time, T ₁, in liquid nitrogen ¹⁴N₂ and liquid nitrogen ¹⁵N₂ along the liquid-vapour coexistence line from 77·3 K up to the critical temperature and for the fluid at the critical density up to 145 K. Values of the molecular reorientational correlation time, τ _Q , and the molecular angular momentum correlation time, τ _sr , are determined. The values of τ _Q and τ _sr and the relation between them are discussed in terms of various theories of molecular reorientation in molecular liquids. The values of τ _Q and τ _sr are also compared with those predicted by computer simulation methods. It is concluded that the molecular reorientation in liquid nitrogen is not by classical reorientational diffusion except possibly at temperatures near the triple point. It is suggested that at higher temperatures the reorientation is on average by rather large angles and that the process may be quantum mechanical to some extent. (For paper I in this series see reference [8].)