首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 31 毫秒
1.
Liquid Hg undergoes the metal-nonmetal (M-NM) transition when it is expanded from 13.6 g cm−3 at ambient conditions to 9 g cm−3 at high temperature and high pressure. To investigate collective and single particle motions in expanded fluid Hg, we have made inelastic X-ray scattering experiments and obtained the dynamic structure factor, S(Q,ω), of fluid Hg. We analyzed S(Q,ω) within the framework of generalized hydrodynamics and found that the excitation energies of collective modes disperse three times as fast as the hydrodynamic sound velocity in the M-NM transition region at 9 g cm−3. The results indicate the existence of fast sound in expanded fluid Hg accompanying the metal-non-metal transition and strongly hint that fluctuations intrinsic to the M-NM transition are induced on atomic length scale and sub-picosecond time scale.  相似文献   

2.
We have performed molecular dynamics simulations of alkali metal (Li+, Na+, K+, Rb+, Cs+) and halide (F, Cl, Br, I) ions in supercritical water at 673 K. The calculations were done for water at three different densities of 1.0, 0.7 and 0.35 g cm−3 to investigate the effects of solute size on the diffusion of ions in supercritical water. On increase of ion size, we observe a maximum for diffusion of ions in supercritical water of higher densities (1.0 and 0.7 g cm−3). However, no such maximum is found for ion diffusion in the supercritical water of low density (0.35 g cm−3) or for diffusion of neutral solutes at all densities. These results are analyzed in terms of passage through voids and necks present in supercritical water. Correlations of the observed diffusion behavior with the sizes of ions and voids present in the systems are discussed.  相似文献   

3.
Transparent conducting thin films of fluorine-doped tin oxide (FTO) have been deposited onto the preheated glass substrates of different thickness by spray pyrolysis process using SnCl4·5H2O and NH4F precursors. Substrate thickness is varied from 1 to 6 mm. The films are grown using mixed solvent with propane-2-ol as organic solvent and distilled water at optimized substrate temperature of 475 °C. Films of thickness up to 1525 nm are grown by a fine spray of the source solution using compressed air as a carrier gas. The films have been characterized by the techniques such as X-ray diffraction, optical absorption, van der Pauw technique, and Hall effect. The as-deposited films are preferentially oriented along the (2 0 0) plane and are of polycrystalline SnO2 with a tetragonal crystal structure having the texture coefficient of 6.19 for the films deposited on 4 mm thick substrate. The lattice parameter values remain unchanged with the substrate thickness. The grain size varies between 38 and 48 nm. The films exhibit moderate optical transmission up to 70% at 550 nm. The figure of merit (φ) varies from 1.36×10−4 to 1.93×10−3 Ω−1. The films are heavily doped, therefore degenerate and exhibit n-type electrical conductivity. The lowest sheet resistance (Rs) of 7.5 Ω is obtained for a typical sample deposited on 4 mm thick substrate. The resistivity (ρ) and carrier concentration (nD) vary over 8.38×10−4 to 2.95×10−3 Ω cm and 4.03×1020 to 2.69×1021 cm−3, respectively.  相似文献   

4.
A new compound, K4(SO4)(HSO4)2(H3AsO4) was synthesized from water solution of KHSO4/K3H(SO4)2/H3AsO4. This compound crystallizes in the triclinic system with space group P1¯ and cell parameters: a=8.9076(2) Å, b=10.1258(2) Å, c=10.6785(3) Å; α=72.5250(14)°, β=66.3990(13)°, γ=65.5159(13)°, V=792.74(3) Å3, Z=2 and ρcal=2.466 g cm−3. The refinement of 3760 observed reflections (I>2σ(I)) leads to R1=0.0394 and wR2=0.0755. The structure is characterized by SO42−, HSO4 and H3AsO4 tetrahedra connected by hydrogen bridge to form two types of dimer (H(16)S(3)O4?S(1)O42− and H(12)S(2)O4?H3AsO4). These dimers are interconnected along the [1¯ 1 0] direction by the hydrogen bonds O(3)-H(3)?O(6). They are also linked by the hydrogen bridge assured by the hydrogen atoms H(2), H(3) and H(4) of the H3AsO4 group to build the chain S(1)O4?H3AsO4 which are parallel to the “a” direction. The potassium cations are coordinated by eight oxygen atoms with K-O distance ranging from 2.678(2) to 3.354(2) Å.Crystals of K4(SO4)(HSO4)2(H3AsO4) undergo one endothermic peak at 436 K. This transition detected by differential scanning calorimetry (DSC) is also analyzed by dielectric and conductivity measurements using the impedance spectroscopy techniques. The obtained results show that this transition is protonic by nature.  相似文献   

5.
The transport properties of Sr0.98La0.02SnO3−δ in the system Sr1−xLaxSnO3−δ, after which the pyrochlore La2Sn2O7 appears, were investigated over the temperature range 4.2-300 K. The oxide was found to be n-type semiconductor with concomitant reduction of Sn4+ into Sn2+. The magnetic susceptibility was measured down to 4.2 K and is less than 3×10−5 emu cgs mol−1 consistent with itinerant electron behavior. The electron is believed to travel in a narrow band of Sn:5s character with an effective mass ∼4 mo. The highest band gap is 4.32 eV and the optical transition is directly allowed. A further indirect transition occurs at 4.04 eV. The electrical conductivity follows an Arrhenius-type law with a thermal activation of 40 meV and occurs by small polaron hopping between nominal states Sn4+/2+. The linear increase of thermo-power with temperature yields an electron mobility μ300 K (2×10−4 cm2 V−1 s−1) thermally activated. The insulating-metal transition seems to be of Anderson type resulting from random positions of lanthanum sites and oxygen vacancies. At low temperatures, the conduction mechanism changes to a variable range hopping with a linear plot Ln ρ−1 vs. T−4. The photo electrochemical (PEC) measurements confirm the n-type conductivity and give an onset potential of −0.46 VSCE in KOH (1 M). The Mott-Schottky plot C−2-V shows a linear behavior from which the flat band potential Vfb=+0.01 VSCE at pH 7 and the doping density ND=1.04×1021 cm−3 were determined.  相似文献   

6.
Single- and multi-shot ablation thresholds of gold films in the thickness range of 31-1400 nm were determined employing a Ti:sapphire laser delivering pulses of 28 fs duration, 793 nm center wavelength at 1 kHz repetition rate. The gold layers were deposited on BK7 glass by an electron beam evaporation process and characterized by atomic force microscopy and ellipsometry. A linear dependence of the ablation threshold fluence Fth on the layer thickness d was found for d ≤ 180 nm. If a film thickness of about 180 nm was reached, the damage threshold remained constant at its bulk value. For different numbers of pulses per spot (N-on-1), bulk damage thresholds of ∼0.7 J cm−2 (1-on-1), 0.5 J cm−2 (10-on-1), 0.4 J cm−2 (100-on-1), 0.25 J cm−2 (1000-on-1), and 0.2 J cm−2 (10000-on-1) were obtained experimentally indicating an incubation behavior. A characteristic layer thickness of Lc ≈ 180 nm can be defined which is a measure for the heat penetration depth within the electron gas before electron-phonon relaxation occurs. Lc is by more than an order of magnitude larger than the optical absorption length of α−1 ≈ 12 nm at 793 nm wavelength.  相似文献   

7.
We have performed an ab initio study of structural, electronic, magnetic, vibrational and thermal properties of the cubic spinel LiMn2O4 by employing the density functional theory, the linear-response formalism, and the plane-wave pseudopotential method. An analysis of the electronic structure with the help of electronic density of states shows that the density of states at the Fermi level (N (EF)) is found to be governed by the Mn 3d electrons with some contributions from the 2p states of O atoms. It is important to note that the contribution of Mn 3d states to N(EF)N(EF) is as much as 85%. From our phonon calculations, we have obtained that the main contribution to phonon density of states (below 250 cm−1) comes from the coupled motion of Mn and O atoms while phonon modes between 250 cm−1 and 375 cm−1 are characterized by the vibrations of all the three types of atoms. The contribution from Li increases rapidly at higher frequency (above 375 cm−1) due to the light mass of this atom. Finally, the specific heat and the Debye temperature at 300 K are calculated to be 249.29 J/mol K and 820.80 K respectively.  相似文献   

8.
Magnetoresistance and Hall coefficient of air-stable potassium-intercalated graphite sheets (hereafter abbreviated as K-PGS) were determined at room temperature. The magnitude of the magnetoresistance and the absolute value of Hall coefficient of K-PGS decreased with increasing potassium content of K-PGS, nK/nC. Two-carrier model was used for calculating carrier density and mobility. The electron density increased with increasing nK/nC: 3.07×1020 cm−3 (nK/nC=0.005), 5.67×1020 cm−3 (nK/nC=0.008) and 6.40×1020 cm−3 (nK/nC=0.011). The value of the electron density of K-PGS with nK/nC=0.011 (nominal composition KC91) was about 80% of the reported value, 7.8×1020 cm−3, for KC48 (nK/nC=0.021) prepared from HOPG (highly oriented pyrolytic graphite). The mobility decreased with increasing nK/nC: 2.11×103 cm2 V−1 s−1 (nK/nC=0.005), 1.42×103 cm2 V−1 s−1 (nK/nC=0.008) and 1.34×103 cm2 V−1 s−1 (nK/nC=0.011). The value of the mobility of K-PGS with nK/nC=0.011 was about 60% of the reported value (2300 cm2 V−1 s−1) for KC48 prepared from HOPG.  相似文献   

9.
Sintered ceramic powders of calcium-doped lead titanate [Pb1−xCaxTiO3] ceramics with different Ca dopant concentration in the range (x=0-0.35) have been prepared using a sol-gel chemical route. The sol-gel technique is known to offer better purity and homogeneity, and can yield stoichiometric powders with improved properties at relatively lower processing temperature in comparison to conventional solid-state reaction. X-ray diffraction (XRD) and Raman spectroscopy studies have been carried out to identify the crystallographic structure and phase formation. The infrared absorption spectra in the mid-IR region (400-4000 cm−1) show the band corresponding to the Ti-O bond at ∼576 cm−1 and is found to shift to a higher wave number 592 cm−1 with increasing Ca content. The dielectric properties as a function of frequency, and phase transition studies on sintered ceramic Pb0.65Ca0.35TiO3 has been investigated in detail over a wide temperature range 30-600 °C and the results are discussed.  相似文献   

10.
A Li hexagonal boron nitride (hBN) intercalation compound (Li-hBNIC) was successfully synthesized by the annealing of powder or bulk hBN and Li at 1523 K. By an XRD analysis, a strong peak indicating the expansion of BN interlayer distance due to Li-intercalation was observed at an angle lower than that of hBN (0 0 2). In the sample, the interlayer distance and its expansion ratio were 3.76 Å and 12.6%, respectively, and these values were similar to those of a first stage Li-graphite intercalation compound (Li-GIC), LiC6. The electrical conductivity of the sample was increased by several orders of magnitude, from 10−15 to 10−7 Ω−1 cm−1 at room temperature. Li de-intercalation was confirmed by the dispersion of the sample in purified water.  相似文献   

11.
High-quality LaCuO2, elaborated by solid-state reaction in sealed tube, crystallizes in the delafossite structure. The thermal analysis under reducing atmosphere (H2/N2: 1/9) revealed a stoichiometric composition LaCuO2.00. The oxide is a direct band-gap semiconductor with a forbidden band of 2.77 eV. The magnetic susceptibility follows a Curie-Weiss law from which a Cu2+ concentration of 1% has been determined. The oxygen insertion in the layered crystal lattice induces p-type conductivity. The electrical conduction occurs predominantly by small polaron hopping between mixed valences Cu+/2+ with an activation energy of 0.28 eV and a hole mobility (μ300 K=3.5×10−7 cm2 V−1 s−1), thermally activated. Most holes are trapped in surface-polaron states upon gap excitation. The photoelectrochemical study, reported for the first time, confirms the p-type conduction. The flat band potential (Vfb=0.15 VSCE) and the hole density (NA=5.8×1017 cm−3) were determined, respectively, by extrapolating the curve C−2 versus the potential to their intersection with C−2=0 and from the slope of the linear part in the Mott-Schottky plot. The valence band is made up of Cu-3d orbital, positioned at 4.9 eV below vacuum. An energy band diagram has been established predicting the possibility of the oxide to be used as hydrogen photocathode.  相似文献   

12.
Polarized infrared reflectivity measurements between 300 and 10 K have been carried out on charge density waves (CDW) conductor blue bronze Tl0.3MoO3. Three important features are observed: (i) A bump at 1155 cm−1 in the reflectivity spectra of Tl0.3MoO3 at 300 K is a precursor of the Peierls gap due to optical excitations across a pseudogap, and this kind of Peierls-like gap opens gradually with decreasing temperature from 180 to 160 K. (ii) The three sharp modes as “triplet” of infrared reflectivity between 800 and 1000 cm−1 of Tl0.3MoO3 along [1 0 2] axis show red shift compared to K0.3MoO3 and Rb0.3MoO3, which is assigned to the increase of the distance of Mo-O bond with the substitution of thallium ions. (iii) Two peaks at about 514 and 644 cm−1 in the far-infrared reflectivity spectra of Tl0.3MoO3 along [1 0 2] direction are suggested to be the electronic transitions from the valence band to the midgap state and from occupied midgap state to the conduction band, respectively.  相似文献   

13.
Middle infrared absorption, Raman scattering and proton magnetic resonance relaxation measurements were performed for [Zn(NH3)4](BF4) in order to establish relationship between the observed phase transitions and reorientational motions of the NH3 ligands and BF4 anions. The temperature dependence of spin-lattice relaxation time (T1(1H)) and of the full width at half maximum (FWHM) of the bands connected with ρr(NH3), ν2(BF4) and ν4(BF4) modes in the infrared and in the Raman spectra have shown that in the high temperature phase of [Zn(NH3)4](BF4)2 all molecular groups perform the following stochastic reorientational motions: fast (τR≈10−12 s) 120° flips of NH3 ligands about three-fold axis, fast isotropic reorientation of BF4 anions and slow (τR≈10−4 s) isotropic reorientation (“tumbling”) of the whole [Zn(NH3)4]2+ cation. Mean values of the activation energies for uniaxial reorientation of NH3 and isotropic reorientation of BF4 at phases I and II are ca. 3 kJ mol−1 and ca. 5 kJ mol−1, respectively. At phases III and IV the activation energies values for uniaxial reorientation of both NH3 and of BF4 equal to ca. 7 kJ mol−1. Nearly the same values of the activation energies, as well as of the reorientational correlation times, at phases III and IV well explain existence of the coupling between reorientational motions of NH3 and BF4. Splitting some of the infrared bands at TC2=117 K suggests reducing of crystal symmetry at this phase transition. Sudden narrowing of the bands connected with ν2(BF4), ν4(BF4) and ρr(NH3) modes at TC3=101 K implies slowing down (τR?10−10 s) of the fast uniaxial reorientational motions of the BF4 anions and NH3 ligands at this phase transition.  相似文献   

14.
New fluorophosphate glasses based on MnF2, NaPO3 and MFn (M=Zn2+, Sr2+, Mg2+, Ba2+, Li+, Na+ and K+) have been synthesised and characterized. Large vitreous areas were observed. Samples of 4 mm in thickness have been obtained. These glasses are easy to prepare and stable in ambient air. Depending on the composition and the nature of the M cation, glass transition temperature, Tg, lies between 230 and 314 °C, crystallisation temperature, Tx is between 320 and 475 °C. These glasses are pink coloured, and infrared transmission extends up to 4.5 μm with extrinsic OH absorption band at 3200 cm−1 and other bands around 2200 and 1600 cm−1 that relate to PO4 tetrahedron vibration. Other physical properties including density, microhardness, Young modulus, thermal expansion and refractive index were investigated and correlated to composition.  相似文献   

15.
Microwave spectra of the hydrogen bonded complex 16OD-16OH2 have been recorded using pulsed-nozzle Fourier transform microwave spectroscopy. The potential splitting, ρ, which describes the partial quenching of the OD orbital angular momentum upon complexation, is determined to be −142.703173(65) cm−1. Within the spectroscopic model employed, this value implies an energy difference of 202.46 cm−1 between the ground (2A′) and first excited (2A′′) states of the complex. The observed value of ρ represents a rather large change of 3.85710(11) cm−1 relative to that in the parent complex and implies a 1.30 cm−1 decrease in the 2A′-2A′′ energy spacing relative to the parent species. Comparison with previous results for the 18OH complex suggests that these changes likely arise from changes in vibrationally averaged geometry upon deuteration. Magnetic hyperfine structure from the deuterium and the water protons is analyzed, as is the nuclear electric quadrupole coupling of the deuterium nucleus. Assuming negligible changes in the axial component of the electric field gradient at the deuterium upon complexation, the deuterium quadrupole coupling constant implies an average angular excursion of the OD bond axis from the vibrationally averaged a-inertial axis of the complex of ∼24°.  相似文献   

16.
EPR study of the Cr3+ ion doped l-histidine hydrochloride monohydrate single crystal is done at room temperature. Two magnetically inequivalent interstitial sites are observed. The hyperfine structure for Cr53 isotope is also obtained. The zero field and spin Hamiltonian parameters are evaluated from the resonance lines obtained at different angular rotations and the parameters are: D=(300±2)×10−4 cm−1, E=(96±2)×10−4 cm−1, gx=1.9108±0.0002, gy=1.9791±0.0002, gz=2.0389±0.0002, Ax=(252±2)×10−4 cm−1, Ay=(254±2)×10−4 cm−1, Az=(304±2)×10−4 cm−1 for site I and D=(300±2)×10−4 cm−1, E=(96±2)×10−4 cm−1, gx=1.8543±0.0002, gy=1.9897±0.0002, gz=2.0793±0.0002, Ax=(251±2)×10−4 cm−1, Ay=(257±2)×10−4 cm−1, Az=(309±2)×10−4 cm−1 for site II, respectively. The optical absorption studies of single crystals are also carried out at room temperature in the wavelength range 195-925 nm. Using EPR and optical data, different bonding parameters are calculated and the nature of bonding in the crystal is discussed. The values of Racah parameters (B and C), crystal field parameter (Dq) and nephelauxetic parameters (h and k) are: B=636, C=3123, Dq=2039 cm−1, h=1.46 and k=0.21, respectively.  相似文献   

17.
Ceramic molybdenum disulphide (MoS2) was equilibrated at an ambient sulphur vapour partial pressure p(S2), 10 Pa<p(S2)<1000 Pa. After the step change of p(S2) to a new value, the equilibration kinetics was monitored by measuring electrical conductivity. The application of the solution of Fick's second law (with the initial condition: no concentration gradient in specimen and the boundary condition: surface concentration constant) to the kinetic data gave the chemical diffusion coefficient. The chemical diffusion coefficient, Dchem, determined at 1273 K, was Dchem=(3.20±0.32)*10−7 cm2 s−1 and was found to be independent of sulphur vapour partial pressure. The usefulness of transient electrical conductivity method for determining real values of diffusion data was discussed in terms of defect structure of the studied material.  相似文献   

18.
Five-layered Si/SixGe1−x films on Si(1 0 0) substrate with single-layer thickness of 30 nm, 10 nm and 5 nm, respectively were prepared by RF helicon magnetron sputtering with dual targets of Si and Ge to investigate the feasibility of an industrial fabrication method on multi-stacked superlattice structure for thin-film thermoelectric applications. The fine periodic structure is confirmed in the samples except for the case of 5 nm in single-layer thickness. Fine crystalline SixGe1−x layer is obtained from 700 °C in substrate temperature, while higher than 700 °C is required for Si good layer. The composition ratio (x) in SixGe1−x is varied depending on the applied power to Si and Ge targets. Typical power ratio to obtain x = 0.83 was 7:3, Hall coefficient, p-type carrier concentration, sheet carrier concentration and mobility measured for the sample composed of five layers of Si (10 nm)/Si0.82Ge0.18 (10 nm) are 2.55 × 106 /°C, 2.56 × 1012 cm−3, 1.28 × 107 cm−2, and 15.8 cm−2/(V s), respectively.  相似文献   

19.
Infrared optical absorption has been used to study OHimpurities into congruent co-doped LiNbO3:Cr3+:ZnO crystals doped with different Zn2+ concentration. The OH IR absorption spectra present three bands that can be associated with different OH complex centres available in the lattice. For crystals with lower Zn2+ concentrations (<4.7%) only one IR absorption band centred at 2867 nm (3490 cm−1) is reported which is associated with the OH unperturbed vibration. For crystals with higher Zn2+ concentrations (>4.7%), two new bands associated with OHvibration in distortion environment are reported. These bands are centred at 2827 nm (3537 cm−1) and 2847 nm (3512 cm−1) and can be associated with OH-Zn2+ and Cr3+(Li+)-OH-Zn2+(Int.) complex centres, respectively. Electron paramagnetic resonance (EPR) has been used to identify the Cr3+ centres in the lattice of the doped LiNbO3:ZnO crystals.  相似文献   

20.
The optical and electrical properties of Co2+ ions in CdSe have been investigated. Absorption, photoluminescence, electron paramagnetic resonance, and Hall measurements were used to characterize a cobalt-doped (1×1019 cm−3) single crystal. Infrared absorption and emission spectra associated with transitions between the 4A2(F) ground state and the 4T1(F) and 4T2(F) excited states are described. At 10 K, spin-orbit splittings result in three structured absorption bands associated with the 4A2(F) to 4T1(F) transition having zero-phonon lines at 4926, 5101, and 5724 cm−1. The 4A2(F) to 4T2(F) transition shows two zero-phonon lines at 2874 and 3286 cm−1, also accompanied by vibronic structure. Intrinsic lattice modes explain most of the sharp-line structure observed at low temperature, except for a subset of peaks where local modes (25-30 cm−1) are invoked. Using below-band-gap light, selective excitation allows detection of the 4T1(F) to 4A2(F) recombination at liquid-helium temperatures. The activation of free carriers in our n-type material containing shallow donors is affected by the presence of cobalt, and we find the Co+/++ level to be about 34 meV below the conduction band of CdSe.  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号