Effect of carbon nanotubes addition on thermoelectric properties of Ca3Co4O9 ceramics

Increasing the phonon scattering center by adding nanoparticles to thermoelectric materials is an effective method of regulating the thermal conductivity. In this study, a series of Ca$_{3}$Co$_{4}$O$_{9}/x$ wt.% CNTs ($x=0$, 3, 5, 7, 10) polycrystalline ceramic thermoelectric materials by adding carbon nanotubes (CNTs) were prepared with sol-gel method and cold-pressing sintering technology. The results of x-ray diffraction and field emission scanning electron microscopy show that the materials have a single-phase structure with high orientation and sheet like microstructure. The effect of adding carbon nanotubes to the thermoelectric properties of Ca$_{3}$Co$_{4}$O$_{9}$ was systematically measured. The test results of thermoelectric properties show that the addition of carbon nanotubes reduces the electrical conductivity and Seebeck coefficient of the material. Nevertheless, the thermal conductivity of the samples with carbon nanotubes addition is lower than that of the samples without carbon nanotubes. At 625 K, the thermal conductivity of Ca$_{3}$Co$_{4}$O$_{9}$/10 wt.% CNTs sample is reduced to 0.408 W$\cdot$m$^{-1}\cdot$K$^{-1}$, which is about 73% lower than that of the original sample. When the three parameters are coupled, the figure of merit of Ca$_{3}$Co$_{4}$O$_{9}$/3 wt.% CNTs sample reaches 0.052, which is 29% higher than that of the original sample. This shows that an appropriate amount of carbon nanotubes addition can reduce the thermal conductivity of Ca$_{3}$Co$_{4}$O$_{9}$ ceramic samples and improve their thermoelectric properties.     

Raman analysis of defects in n-type 4H-SiC

This paper employs micro-Raman technique for detailed analysis of the defects (both inside and outside) in bulk 4H-SiC. The main peaks of the first-order Raman spectrum obtained in the centre of defect agree well with those of perfect bulk 4H-SiC, which indicate that there is no parasitic polytype in the round pit and the hexagonal defect. Four electronic Raman scattering peaks from nitrogen defect levels are observed in the round pit (395\,cm$^{-1}$, 526\,cm$^{-1}$, 572\,cm$^{-1}$, and 635\,cm$^{-1})$, but cannot be found in the spectra of hexagonal defect. The theoretical analysis of the longitudinal optical plasmon--phonon coupled mode line shape indicates the nonuniformity of nitrogen distribution between the hexagonal defect and the outer area in 4H-SiC. The second-order Raman features of the defects in bulk 4H-SiC are well-defined using the selection rules for second-order scattering in wurtzite structure and compared with that in the free defect zone.     

First-principle study of native defects in CuScO2 and CuYO2

This paper studies the electronic structure and native defects in transparent conducting oxides CuScO2 and CuYO2 using the first-principle calculations. Some typical native copper-related and oxygen-related defects, such as vacancy, interstitials, and antisites in their relevant charge state are considered. The results of calculation show that, CuMO2（M = Sc, Y） is impossible to show n-type conductivity ability. It finds that copper vacancy and oxygen interstitial have relatively low formation energy and they are the relevant defects in CuScO2 and CuYO2. Copper vacancy is the most efficient acceptor, and under O-rich condition oxygen antisite also becomes important acceptor and plays an important role in p-type conductivity.     

On the influence of extrinsic point defects on irradiation-induced point-defect distributions in silicon

A semi-quantitave model describing the influence of interfaces and stress fields on {113}-defect generation in silicon during 1-MeV electron irradiation, is further developed to take into account also the role of extrinsic point defects. It is shown that the observed distribution of {113}-defects in high-flux electron-irradiated silicon and its dependence on irradiation temperature and dopant concentration can be understood by taking into account not only the influence of the surfaces and interfaces as sinks for intrinsic point defects but also the thermal stability of the bulk sinks for intrinsic point defects. In heavily doped silicon the bulk sinks are related with pairing reactions of the dopant atoms with the generated intrinsic point defects or related with enhanced recombination of vacancies and self-interstitials at extrinsic point defects. The obtained theoretical results are correlated with published experimental data on boron-and phosphorus-doped silicon and are illustrated with observations obtained by irradiating cross-section transmission electron microscopy samples of wafers with highly doped surface layers.     

Comparative study of spectroscopic properties of Er^3＋／Yb^3＋-codoped tellurite glass and fibres under 980nm excitation＊

A tellurite fibre of TeO_{2}－ZnO－La_{2}O_{3}－Li_{2}O glass codoped with 20000 ppm ytterbium and 5000 ppm erbium was fabricated by the suction casting and rod-in-tube technologies. The absorption spectrum of Er^{3+}/Yb^{3+} -codoped bulk glass has been measured. From the Judd－Ofelt intensity parameters, the spontaneous emission probability and radiative lifetime τ_{rad} of Er^{3+}:{}^{4}I_{13/2}→{}^{4}I_{15/2} transition for the bulk glass have been calculated. The emission fluorescence spectra and lifetimes around 1.5μm, and subsequent upconversion fluorescence in the range of 500－700nm were measured in fibres and compared with those in bulk glass. The changes in amplified spontaneous emission with fibre length and pumping power was also measured. It was found that the emission spectrum from erbium in fibres is almost twice as broad as the corresponding spectrum in bulk glass when pumped at 980nm.     

Crossover from attractive to repulsive Casimir forces and vice versa

Systems described by an O(n) symmetrical varphi;{4} Hamiltonian are considered in a d-dimensional film geometry at their bulk critical points. The critical Casimir forces between the film's boundary planes B_{j}, j=1,2, are investigated as functions of film thickness L for generic symmetry-preserving boundary conditions partial differential_{n}phi=c[over composite function]_{j}phi. The L-dependent part of the reduced excess free energy per cross-sectional area takes the scaling form f_{res} approximately D(c_{1}L;{Phi/nu},c_{2}L;{Phi/nu})/L;{d-1} when d<4, where c_{i} are scaling fields associated with the variables c[over composite function]_{i} and Phi is a surface crossover exponent. Explicit two-loop renormalization group results for the function D(c_{1},c_{2}) at d=4- dimensions are presented. These show that (i) the Casimir force can have either sign, depending on c_{1} and c_{2}, and (ii) for appropriate choices of the enhancements c[over composite function]_{j}, crossovers from attraction to repulsion and vice versa occur as L increases.     

Different Thermal Stabilities of Cation Point Defects in LaAlO_3 Bulk and Films

Using the first-principles method, we investigate the thermal stability of cation point defects in LaAlO_3 bulk and films. The calculated densities of states indicate that cation vacancies and antisites act as acceptors. The formation energies show that cation vacancies are energetically favorable in bulk LaAlO_3 under O-rich conditions,while the Al_(La) antisites are stable in reducing atmosphere. However, the same behavior does not appear in the case of LaAlO_3 films. For LaO-terminated LaAlO_3 films, La or Al vacancies remain energetically favorable under O-rich and O-deficient conditions. For an AlO_2-terminated surface, under O-rich condition the La interstitial atom is repelled from the outmost layer after optimization, which releases more stress leading to the decrease of total energy of the system. An Al interstitial atom has a smaller radius so that it can stay in distorted films and becomes more stable under O-deficient conditions, and the Al interstitial atoms can be another possible carrier source contribution to the conductivity of n-type interface under an ultrahigh vacuum. La and Al antisites have similar formation energy regardless of oxygen pressure. The results would be helpful to understand the defect structures of LaAlO_3-related materials.     

Improved performance of MoS2 FET by in situ NH3 doping in ALD Al2O3 dielectric

Since defects such as traps and oxygen vacancies exist in dielectrics, it is difficult to fabricate a high-performance MoS$_{2}$ field-effect transistor (FET) using atomic layer deposition (ALD) Al$_{2}$O$_{3}$ as the gate dielectric layer. In this paper, NH$_{3}$ in situ doping, a process treatment approach during ALD growth of Al$_{2}$O$_{3}$, is used to decrease these defects for better device characteristics. MoS$_{2}$ FET has been well fabricated with this technique and the effect of different NH$_{3}$ in situ doping sequences in the growth cycle has been investigated in detail. Compared with counterparts, those devices with NH$_{3}$ in situ doping demonstrate obvious performance enhancements: $I_{\rm on}/I_{\rm off}$ is improved by one order of magnitude, from $1.33\times 10^{5}$ to $3.56\times 10^{6}$, the threshold voltage shifts from $-0.74 $ V to $-0.12$ V and a small subthreshold swing of 105 mV/dec is achieved. The improved MoS$_{2}$ FET performance is attributed to nitrogen doping by the introduction of NH$_{3}$ during the Al$_{2}$O$_{3}$ ALD growth process, which leads to a reduction in the surface roughness of the dielectric layer and the repair of oxygen vacancies in the Al$_{2}$O$_{3}$ layer. Furthermore, the MoS$_{2}$ FET processed by in situ NH$_{3}$ doping after the Al and O precursor filling cycles demonstrates the best performance; this may be because the final NH$_{3}$ doping after film growth restores more oxygen vacancies to screen more charge scattering in the MoS$_{2}$ channel. The reported method provides a promising way to reduce charge scattering in carrier transport for high-performance MoS$_{2 }$ devices.     

A novel yellow emitting phosphor Dy3+, Bi3+ co-doped YVO4 potentially for white light emitting diodes

Novel Y1 x yVO4:xDy3+,yBi3+(0.01 ≤ x ≤ 0.05,0 ≤ y ≤ 0.20) phosphors for light emitting diode(LED) were successfully synthesised by solid-state reaction.The calculation results of electronic structure show that YVO4 has a direct band gap with 3 eV at G.The top of the valence band is dominated by O 2p state and the bottom of the conduction band is mainly composed of O 2p and V 3d states.An efficient yellow emission under near-ultraviolet(365 nm) excitation is observed.Compared with the pure YVO4:Dy3+ samples,the Dy3+,Bi3+ co-doped samples show a more intensive emission peak(at 574 nm) and a new broad emission band(450-770 nm),due to the 4F9/2 6H13/2 transition of Dy3+ and the emission of the VO3 4 Bi3+ complex respectively.The optimum chromaticity index of Y1 x yVO4:xDy3+,yBi3+(0.01 ≤ x ≤ 0.05,0 ≤ y ≤ 0.20) is(0.447,0.497),which indicates that YVO4:Dy3+,Bi3+ has higher colour saturation than the commercial phosphor YAG:Ce3+.The effects of concentration of Dy3+,Bi3+,electric states and the photoluminescence properties are discussed in details.     

Evidence for a pseudogap in underdoped Bi{2}Sr_{2}CaCu{2}O{8+delta} and YBa2Cu3O6.50 from in-plane optical conductivity measurements

The real part of the in-plane optical self-energy data in underdoped Bi_{2}Sr_{2}CaCu_{2}O_{8+delta} (Bi-2212) and ortho II YBa2Cu3O6.5 contains new and important information on the pseudogap. Using a theoretical model approach, a major new finding is that states lost below the pseudogap Delta_{pg} are accompanied by a pileup of states just above this energy. The pileup along with a sharp mode in the bosonic spectral function leads to an unusually rapid increase in the optical scattering rate as a function of frequency and a characteristically sloped peak in the real part of the optical self-energy. These features are not found in optimally doped and overdoped samples and represent the clearest signature so far in the in-plane optical conductivity of the opening of a pseudogap.     

Effect of Y3+ substitution on the structural,dielectric, and electrical properties of nanosized ZnAl 2 O 4 spinel

In the present work, we have studied the structural, dielectric, and electrical properties of a series of nanosized $\mathrm{ZnAl}_{2-2x}\mathrm{Y}_{2x}\mathrm{O}_{4}$ ( $x = 0.00$ , 0.01, 0.02, 0.03, 0.04, 0.05, 0.07, and 0.10) system prepared by chemical coprecipitation method. Powder X-ray diffraction (XRD) was carried out to study the influence of $\mathrm{Y}^{3+}$ substitution on the crystal structure of these samples. High Resolution Transmission Electron Microscopy (HRTEM) images reveal the nanocrystalline nature of the samples. The Fourier Transform Infrared (FTIR) spectra confirmed the preference of $\mathrm{Y}^{3+}$ ions at the octahedral B site. The variation of dielectric constant and loss tangent (1 kHz to 1 MHz) at room temperature for all the samples show the normal behavior of spinel compounds. AC conductivity study reveals that the conduction is due to small polaron hopping. The electrical modulus analysis shows that nanocrystalline $\mathrm{ZnAl}_{2-2x}\mathrm{Y}_{2x}\mathrm{O}_{4}$ system exhibits non-Debye-type relaxation. The DC electrical resistivity measured in the temperature range 303–373 K was found to increase with temperature and yttrium content.     

Point-defect properties of and sputtering events in the {001} surfaces of Ni3Al I. Surface and point-defect properties

Constant-area and fully relaxed molecular dynamics methods are employed to study the properties of the surface and point defects at and near {001} surfaces of bulk and thin-film Ni, Al and Ni₃Al respectively. The surface tension is larger than the surface energy for all {001} surfaces considered in the sequence: Al (1005?mJ?m^?2)<?Ni₃Al (mixed Ni–Al plane outermost, 1725?mJ?m^?2)<?Ni₃Al (all-Ni-atoms plane outermost, 1969?mJ?m^?2)<?Ni (1993?mJ?m^?2). For a surface of bulk Ni₃Al crystal with a Ni–Al mixed plane outermost, Al atoms stand out by 0.0679?Å compared with the surface Ni atoms and, for the all-Ni-atoms surface, Al atoms in the second layer stand out by 0.0205?Å compared with Ni atoms in the same layer. Vacancy formation energies are about half the bulk values in the first layer and reach a maximum in the second layer where the atomic energy is close to the bulk value but the change in embedding energy of neighbouring atoms before and after vacancy formation is greater than that in the bulk. Both the vacancy formation energy and the surface tension suggest that the fourth layer is in a bulk state for all the surfaces. The formation energy of adatoms, antisite defects and point-defect pairs at and near {001} surfaces of Ni₃Al are also given.     

The first-principles study of ferroelectric behaviours of PbTiO3/SrTiO3 and BaTiOn/SrTiO3 superlattices

We have performed the first-principles calculation to investigate the origins of ferroelectricities and different po- larization behaviours of superlattices BaTiO3/SrTiO3 and PbTiO3/SrTiO3. The density of state （DOS） and electronic charge profiles show that there are strong hybridizations between atoms Ti and O and between atoms Pb and O which play very important roles in producing the ferroelectricities of superlattices BaTiO3/SrTiO3 and PbTiO3/SrTiO3. Ow- ing to the decline of internal electric field in SrTiO3 （ST） layer, the tetragonality and polarizations of superlattices decrease with increasing the fraction of SrTiO3 in the superlattices. We find that the polarization of PbTiO3/SrTiO3 is largerthan that of BaTiO3/SrTiO3 at the same ratio of components, because the polarization mismatch between PbTiO3 and SrTiO3 is larger than that between BaTiO3 and SrTiO3. The polarization and tetragonality are en- hanced with respect to those of bulk tetragonal BaTiO3 in the superlattices BaTiO3/SrTiO3, while the polarization and tetragonality are reduced with respect to those of bulk tetragonal PbTiO3 in superlattices PbTiO3/SrTiO3.     

Electroluminescence in SrTiO<Subscript>3</Subscript>:Cr single-crystal nonvolatile memory cells

Metal–insulator–metal (M–I–M) structures involving transition-metal oxides and, more recently, also perovskite oxides with resistive switching effects have attracted substantial interest in research aimed at nonvolatile memories of nanometer dimensions. Although some models are presently under discussion, it is still not clear whether the fundamental switching mechanism is an interface or a bulk property, or a combination of both. Extended defects, such as dislocation lines and changes in the oxygen vacancy concentration, are considered responsible for the conducting state, and local reduction/oxidation processes have been proposed to be responsible for the resistive switching. In addition, the role of dopants has not been discussed in depth. Here we report on an electric-field-controlled electron trapping/detrapping process involved in the resistive switching in Cr-doped SrTiO₃. Electroluminescence (EL) measurements reveal that during resistive switching, light emission is observed only in the switching transition from high to low conductivity. The EL spectrum is typical for Cr³⁺ in an octahedral ligand field, indicating that the switching process involves trapping/detrapping of electrons at the Cr site. With increasing conductivity of SrTiO₃, we observe a change from the predominant (R-line) to the vibronically red-shifted transition, which points to a modification of the Cr-occupied lattice sites. PACS 71.30.+h; 78.60.Fi; 73.40.Rw; 78.55.-m; 85.30.Tv     

The Phyllosiloxides: New Class of Layered Oxides Derived from Natural Phyllosilicates

New class of layered oxides, phyllosiloxides, was expanded to three new compositions: KMg 2 Fe 3+ Si 4 O 12 , \rm{KFe}^{2+}_{2}\rm{AlSi}_{4}\rm{O}_{12} , and \rm{KFe}^{2+}\rm{Fe}^{3+}_{3}\rm{Si}_{3}\rm{O}_{12} . The sol-gel route was adopted to prepare a precursor and the polycrystalline samples were obtained by solvothermal treatments at 750 °C/160 MPa using 2-methoxy ethanol as solvent. The three powder X-ray diffraction patterns were successfully indexed by 1 M polytype of mica. Platelet morphologies of these samples were observed through the images of scanning electron microscopy.     

Thermoelectric power of YBa2Cu3Ox in equilibrium with gas phases

Thermoelectric power (TP) and electrical conductivity (EC) measurements were performed for YEa₂Cu₃O_x at 1128 K under controlled oxygen partial pressure varying between 50 and 10⁵ Pa. Three regimes are observed for the electrical properties. At low both TP and EC remain constant with . In the medium range sharp changes of both electrical parameters occur; TP changes sign from positive above 4×10² Pa to negative below this value. In the high region (>7.6×10³ Pa) TP vs log exhibits two slopes; 5.1 below 1.5×10⁴ Pa and 8.4 above this value. The slopes can be discussed in terms of the defect structure involving singly and doubly ionized oxygen vacancies below and above 7.6×10³ Pa, respectively.     

Effect of vacancy defect clusters on the optical property of the aluminium filter used for the space solar telescope

We investigate the microstructures of the pure aluminium foil and filter used on the space solar telescope, irradiated by photons with different doses. The vacancy defect clusters induced by proton irradiation in both samples are characterized by transmission electron microscopy, and the density and the size distribution of vacancy defect clusters are determined. Their transmittances are measured before and after irradiating the samples by protons with energy E=100~keV and dose φ =6× 10¹¹/mm². Our experimental results show that the density and the size of vacancy defect clusters increase with the increase of irradiation doses in the irradiated pure aluminium foils. As irradiation dose increases, vacancies incline to form larger defect clusters. In the irradiated filter, a large number of banded void defects are observed at the agglomerate boundary, which results in the degradation of the optical and mechanical performances of the filter after proton irradiation.     

Research of the behaviour of O chemisorption on the (110) surface of Rhx--Pt1－x alloy

An atomic group model of the disordered binary alloy Rhx-Pt1-x has been constructed to investigate surface segregation. According to the model, we have calculated the electronic structure of the Rhx-Pt1-x alloy surface by using the recursion method when O atoms are adsorbed on the Rhx-Pt1-x （110） surface under the condition of coverage 0.5. The calculation results indicate that the chemical adsorption of O changes greatly the density of states near the Fermi level, and the surface segregation exhibits a reversal behaviour. In addition, when x 〈 0.3, the surface on which O is adsorbed displays the property of Pt; whereas when x 〉 0.3 it displays the property of Rh.     

Transition energy and dipole oscillator strength for 1s22p-1s2nd of Cr2l+ ion

The transition energies, wavelengths and dipole oscillator strengths of 1s^22p-1s^2nd （3 ≤ n ≤ 9） for Cr^21＋ ion are calculated. The fine structure splittings of 1s^2nd （n ≤ 9） states for this ion are also calculated. In calculating energy, we have estimated the higher-order relativistic contribution under a hydrogenic approximation. The quantum defect of Rydberg series 1s^2nd is determined according to the quantum defect theory. The results obtained in this paper excellently agree with the experimental data available in the literature. Combining the quantum defect theory with the discrete oscillator strengths, the discrete oscillator strengths for the transitions from initial state 1s^22p to highly excited 1s^2nd states （n ≥ 10） and the oscillator strength density corresponding to the bound-free transitions are obtained.     

The atomic structure of alloy surfaces: Ni3Al{001}

The atomic structure of the {001} surface of Ni₃Al has been determined by LEED (low-energy electron diffraction) intensity analysis to correspond to simple truncation of the bulk structure with the Ni-Al mixed layer on top rather than the pure Ni layer. The first interlayer spacing is essentially equal to the bulk interlayer spacing between {001} planes. First-principles calculations of the cohesive energies of slabs terminating in the two types of layers also indicate that the mixed layer termination is more stable.