Reconsideration of Orth Ⅰ and Orth Ⅱ Phases in Ln-System Superconductors

A block model is used to calculate the combinative energy in LnBa2Cu3O7-x （Ln=Y, Er, Nd） systems, and the energy has no difference for orth-Ⅰ and orth-Ⅱ in the plateau range. Namely, no matter what phase it is, when the oxygen deficiency is in the range of δ-0.35-0.55, the plateau appears in the energy -δ curves, and the combinative energy has close correlation with the Tc value. The result in the present work gives some hints to reconsider the role of the order of oxygen defects or its effect on superconductivity in LnBa2Cu3O7-x. The existence of the orth-Ⅱ seems not to be the reason for the plateau in the Tc curve. This is an important problem for LnBa2Cu3O7-x and some suggestion is given in the discussion.     

Relation of Structure and Superconductivity in Self-Compensating Y1-χCaχBa2-χLaχCu3Oy

The self-compensating compound of Y1-χ CaχBa2-χLaχ Cu3Oy is synthesized through a solid-state reaction method with χ from 0.25 to 0.55. Structural and superconducting properties have been investigated by χ-ray diffraction, Rietveld refinement, and dc magnetization measurement, respectively. The impure peaks appear when χ is more than 0.5 in the diffraction pattern. Orthorhombic-tetragonal transition occurs at χ = 0.45. Some local structural parameters, such as Cu（1）-O（4）, Cu（2）-O（4） bond lengths, change randomly in a narrow range. The relationship between the character of （Ba/La）-O plane and Tc is rather interesting. We attribute the behaviour of superconductivity to the joint effects of these local structural parameters. The results give the evidence that the influence of the structural change on superconductivity is essential and independent of carrier concentration.     

Structural,mechanical, and electronic properties of 25 kinds of Ⅲ–Ⅴbinary monolayers: A computational study with first-principles calculation

Using first-principle calculations, we investigate the mechanical, structural, and electronic properties and formation energy of 25 kinds of Ⅲ–V binary monolayers in detail. A relative radius of the binary compound according to the atomic number in the periodic table is defined, and based on the definition, the 25 kinds of Ⅲ–V binary compounds are exactly located at a symmetric position in a symmetric matrix. The mechanical properties and band gaps are found to be very dependent on relative radius, while the effective mass of holes and electrons are found to be less dependent. A linear function between Young's modulus and formation energy is fitted with a linear relation in this paper. The change regularity of physical properties of B–V(V = P, As, Sb, Bi) and Ⅲ–N(Ⅲ = Al, Ga, In, Tl) are found to be very different from those of other Ⅲ–V binary compounds.     

Tunable superconductivity in parent cuprate Pr_2CuO_(4±δ) thin films

We studied the role of oxygen in Pr2 CuO_(4±δ) thin films fabricated by the polymer assisted deposition method. The magnetoresistance and Hall resistivity of Pr2 CuO_(4±δ) samples were systematically investigated. It was found that with decreasing oxygen content, the low-temperature Hall coefficient(RH) and magnetoresistance changed from negative to positive, similar to those with the increase of Ce-doped concentration in R_(2-x)Ce_x CuO_4 (R = La, Nd, Pr, Sm, Eu). In addition, we observed that the dependence of the superconducting critical temperature Tc with RH for the Pr_(2-x) Ce_x CuO_4 perfectly overlapped with that of Pr_2 CuO_(4±δ) . These findings point to the fact that the doped electrons induced by the oxygen removal are responsible for the superconductivity of the T-phase parent compounds.     

Magnetocaloric effects in RT X intermetallic compounds(R = Gd–Tm,T = Fe–Cu and Pd,X = Al and Si)

The magnetocaloric effect(MCE) of RT Si and RT Al systems with R = Gd–Tm, T = Fe–Cu and Pd, which have been widely investigated in recent years, is reviewed. It is found that these RT X compounds exhibit various crystal structures and magnetic properties, which then result in different MCE. Large MCE has been observed not only in the typical ferromagnetic materials but also in the antiferromagnetic materials. The magnetic properties have been studied in detail to discuss the physical mechanism of large MCE in RT X compounds. Particularly, some RT X compounds such as Er Fe Si,Ho Cu Si, Ho Cu Al exhibit large reversible MCE under low magnetic field change, which suggests that these compounds could be promising materials for magnetic refrigeration in a low temperature range.     

Optoelectronic Properties,Elastic Moduli and Thermoelectricity of SrAlGa： An Ab Initio Study

Half-Heusler compounds are an impressive class of materials with a huge potential for different applications such as in future energy, especially in the fields of thermoelectrics and solar cells. We present ab fnitio total energy calculations within the modified Becke-Johnson generalized gradient approximation （mBJ-GGA） to obtain the physical properties of SrAlGa compounds. The structural, elastic, acoustic, electronic, chemical bonding, optical, and thermoelectric properties are calculated and compared with the available calculation data. The SrAlGa is found to be a small-band-gap （0.125-0.175 eV） material, suitable for thermoelectric applications with a relatively high Seebeck coefficient. Also, SrAIGa has the potential in the optoelectronic applications due to high optical conductivity and reflectivity in the infrared and visible region of electromagnetic spectra.     

Photoluminescence of ZnSe—ZnS Single Quantum Wells Grown by Vapour Phase Epitaxy

We study the photoluminescence (PL) of ultra thin layer ZnSe quantum Wells in ZnS barriers.Samples with different well widths are grown by vapour phase epitaxy and the PL spectra of these samples are measured by the excitation of a 500W Hg lamp.The peak positions of the bands coming from the excitonic luminescence show a larger blueschift with respect to the energy of free excitons in the ZnSe bulk material.The observed variation of the full width at half maximum and peak position of the bands in the spectra with the well width are interpreted to the formation of the ZnSxSe1-x alloy layer due to the interdiffusion in the interfaces between ZnSe and ZnS.According to the behaviour of the excitons in the smaller conduction band offset,the exciton binding energy is estimated from the dependence of the PL intensity on the temperature.from this result,excitons seem to show nearly three-dimensional characteristics.     

Modification of a YBa2Cu3O7—δ Thin Film Using an Atomic Force Microscope

A YBa2Cu3O7-δ thin film is modified by a probe electric field of an atomic force microscope to form a ridge with the width of only a grain cell.The modification varies with the operation parameters of the bias voltage,the moving velocity of the probe and the ambient humidity.Energy dispersive spectroscopy analysis shows only oxygen deficiency in the modified YBCO thin film.As a result,the suppressed superconductivity was found in the junction crossing the ridge.     

CRITICAL CURRENT AND FLUX CREEP IN YBa_2Cu_3O_(7-x) THIN FILMS

The critical currents of YBa2Cu3O7-x thin films have been measured at 74. 3K in magnetic fields up to 2.1T and at the temperature range from 64K to Tc in the absence of the field. Jc-B and Jc-T data were fitted to the flux creep model. The values of pinning energy and number density of pinning centers were obtained from the fits. The results show that the measured critical current density is flux-creep-limited and is several times smaller than Jco, the critical current density in the absence of flux creep. The distribution of pinning energies and inhomogeneity may be responsible for the discrepancy of pinning energy values obtained from different methods.     

The influence of cation additives on the NIR luminescence intensity of Er³⁺-doped borate glasses

Er3+-doped 25BaO-(25-x)SiO2-xAl2O3-25B2O3 transparent glasses are prepared with x = 0,12.5 and 25 by a solid-state reaction.The Er-related NIR luminescence intensity,which corresponds to the transition of 4I15/2-4I13/2,is obviously altered with different silicon/aluminum ratios.The Judd-Ofelt parameters of the Er3+ ions are adopted to explain the intensity change in the NIR fluorescence,and the Raman scattering intensity versus the amount of Al and/or Si components are discussed.The spectra of the three samples are quite similar in the peak positions,but different in intensity.The maximal phonon density of state for the samples is calculated from the Raman spectra and is correlated to the NIR luminescence efficiency.     

稀土元素替代Y对YBa2Cu3O7-δ氧吸附性能的影响

用热重法研究了RBa2Cu3O7-δ(R=Gd、Er、Eu、Dy、Sm、Ho和Nd)及Y1-xLaxBa2Cu3O7-δ(x=0.1,0.5和1.0)共10种材料在高温下的氧吸附—脱附性能。结果表明,随着温度的升降循环,仅NdBa2Cu3O7-δ(R=Gd)和Y1-xLaxBa2Cu3O7-δ的氧吸附—脱附性能有较好的重复性,其余的6个样品的重复性都很差;并且这10种样品的质量变化率都没有YBCO的大。     

Evidence for two separate energy gaps in underdoped high-temperature cuprate superconductors from broadband infrared ellipsometry

We present broadband infrared ellipsometry measurements of the c-axis conductivity of underdoped RBa_{2}Cu_{3}O_{7-delta} (R=Y, Nd, and La) single crystals. Our data show that separate energy scales are underlying the redistributions of spectral weight due to the normal state pseudogap and the superconducting gap. Furthermore, they provide evidence that these gaps do not share the same electronic states and do not merge on the overdoped side. Accordingly, our data are suggestive of a two gap scenario with a pseudogap that is likely extrinsic with respect to superconductivity.     

Superconductivity due to charge transfer to the CuO2 sheet from the (Tl,Pb) O layer in Tl0.5Pb0.5Sr2−xNdxCuO5−δ

The superconductivity of Tl_0.5Pb_0.5Sr_2−xNd_xCuO_5−δ was observed for x ≥ 0.3, although the calculated Cu valence assuming Tl³⁺ and Pb⁴⁺ is slightly above or below 2.0. The binding energy of the Tl and Pb 4f core levels measured by XPS shifted to higher energy than those of Tl³⁺ and Pb⁴⁺ in the reference materials, showing that the Tl and Pb valences are lower than 3 + and 4 +, respectively. These observations strongly suggest that holes in the CuO₂ sheet are created by charge transfer from the (Tl,Pb)O layer, similar to the double-layered Tl---Ba cuprates.

In contrast, the temperature variation of electrical conductivity of Tl_0.5Pb_0.5Sr₂CuO_5−δ changed from metallic to semiconducting with increasing oxygen deficiency, δ, and no superconductivity was observed through any control of δ. Although XPS measurement also suggested that Tl and Pb valences lowered with increasing oxygen deficiency, δ, the reason why the system did not show superconductivity can be understood by the depletion of oxygen from the CuO₂ plane during deoxygenation.     

Co掺杂对YBa2Cu3O7-δ微观结构及透氧性能的影响

利用XRD、TG和标准四电极法研究了YBa2Cu3-xCoxO7-δ(x=0~0.5)混合导体的结构和性能,稳态法考察了Co掺杂量对膜材料透氧性能的影响。实验表明当x<0.05时,Co掺杂可以提高透氧量,在x=0.05时达到最大值(940℃,厚1.4mm的膜材料透氧量为0.53ml/min.cm2)。当x>0.05透氧量开始减小,当x>0.01后,透氧量下降到比未掺杂的YBa2Cu3O7-δ还要小。从晶格结构与Co掺杂量的关系及Co-O键能与Cu-O键能的差别对透氧量随Co掺杂量的变化进行了讨论。     

Luminescence of Ba0.85MgAl10O16.94：Eu^2＋0.09 with different fluxes

BaMgAl10O17:Eu^2 , known as BAM, is a very important blue-emitting phosphor used in plasma display panels (PDP) and three band fluorescent lamps. In this paper, the Ba0.s5MgAl10O16.94:Eu^2 0.09 phosphors with different fluxes (BaF2, MgF2, AIF3, BaCl2, MgCl2, AICl3, H3BO3) were prepared by high temperature solid-state reaction method and the influence of different fluxes on the luminescence of Ba0.85MgAl10O16.94:Eu^2 0.09 phosphor was studied under 254nm excitation and vacuum ultraviolet (VUV) excitation. It was found that fluorides have better flux effects than chlorides and H3BO3. The mechanism of particle growth in the presence of flux in the process of phosphor preparation is discussed in detail. Particle size distribution and the crystal structure of the phosphors are also analysed.     

NMR study of local hole distribution, spin fluctuation and superconductivity in Tl2Ba2Ca2Cu3O10

⁶³Cu, ¹⁷O and ²⁰⁵Tl NMR have been performed in the high-T_c superconductor Tl₂Ba₂Ca₂Cu₃O₁₀ whose T_c(max) is 127 K. The hole densities at Cu and oxygen sites in the CuO₂ plane have been extracted from the nuclear quadrupole frequency ν_Q. The striking feature is that the Cu holes are significantly transferred to oxygen site due to strong hybridization between Cu and oxygen. From an analysis of T₁ and T_2G, it has been found that the spectral weight of the spin fluctuation is transferred to higher energy compared to YBa₂Cu₃O₇, while the magnetic correlation length ξ does not differ much. Thus, it is suggested that the higher T_c is due to higher characteristic energy of spin fluctuations, i.e. the superconductivity is spin fluctuation mediated. The superconducting properties are consistently explained by a d-wave superconductivity model with a finite density of states (DOS) at the Fermi level. We show that the disorder of the Ca/TlO layer caused by the partial inter-substitution of Tl and Ca is responsible for the potential scattering to produce such a DOS. It is found that if such a potential scattering were absent, T_c would go up to 132 K which is quite close to the record T_c realized in the Hg based compound.     

Optical Response of Granular YBCO Weak Link

1.IntroductionRecently,thcrehasbecnintcrcstinthephot0resp0nse0fhigh-7'.oxidcsuperconductingfilms,espcciallywithregardtdthedctailsofthephysics0ftheph0toresponse['~'J.Fr0mtheviewpointoftheapplicationinthesuperconductingclectr0nics,thecharacteristicsofphotore-sponcse0fJosephsonjuncti0nfabricated\viththcsehigh-T.0xidcsupercondictorsandthepho-toinducedn0ncquilibriumproPerties0fthesematerialsmustbecxaminedandeva1uatcdforthedeve1opmcntofnQveIsL1pcrc0n(luctingdcviccsandJ0scphsoncbnjuncti0n.Itisf0un…     

Y1-xPrxBa2Cu3O7-δ体系中的离子价键特性与超导电性

基于中子散射实验结果,应用键价计算方法研究了Y_1-xPr_xBa₂Cu₃O_7-δ(x=0,0.2,0.4,0.6)体系中离子的价键特性。对Cu(1),Cu(2)及Y(Pr)的键价和计算结果表明,Cu(2)的键价和与超导临界温度(T_c)之间存在着强烈的关朕。在氧含量基本保持不变的情况下,随Pr含量的增加,体系中电荷分布发生改变,Cu(1),Cu(2)的键价和下降,Y(Pr)的键价 关键词：     

First-principles study on the electronic structure and optical properties of T12Cd2（SO4）3 and Rb2Cd2（SO4）3

With the help of ab initio full-potential linearized augmented plane wave （FPLAPW） method, calculating the electronic structure and linear optical properties is carried out for XCd2（SO4）3 （X =Tl, Rb）. The results show that Tl2Cd2（SO4）3 （TlCdS） has a larger band gap than Rb2Cd2（SO4）3 （RbCdS） and the energy bands for RbCdS are more dispersive than those of TlCdS. From their partial densities of states （PDOS）, we have observed that the hybridization between S ionic 2p and O atomic 2p orbitals forms SO4 ionic groups. The remarkable difference between RbCdS and TlCdS is, however, the degree of hybridization between cation （Tl and Rb） and its surrounding oxygen atoms. In the view of quantum chemistry, the strong p-d hybridization indicates the existence of their cation ionic bonds （Cd-O, Rb-O, and Tl-O）. The calculations of TlCdS and RbCdS show their optical properties to be less anisotropic. Their anisotropies in the optical properties mainly occur in a low photon energy region of 5-16 eV.     

掺杂Sr8 CaRe3 Cu4 O24:一种可能具有半金属性和大的氧磁矩的材料

用密度泛函理论方法仔细研究了新型钙钛矿铜氧材料Sr8CaRe3Cu4O24的电子结构和磁性性质，发现掺杂将使得这种材料表现出非常奇特的性质：（1）用W或Mo替代Re，将使得材料变成半金属，同时它的磁转变温度仍然很高；（2）对Sr8CaRe3Cu4O24进行空穴掺杂，也将使它变为具有高磁转变温度的半金属材料。更为奇特的是，空穴掺杂将导致O原子上有很大的磁矩。因此，Sr8CaRe3Cu4O24很有可能是一种有广阔应用前景的磁性材料。