X-ray study on the phase transitions in triammonium hydrogen disulfate crystals and deuterated crystals

The structural phase transitions in triammonium hydrogen disulfate crystals and deuterated crystals below room temperature have been studied by X-ray diffraction. Three phases are observed in the temperature range from 25°C down to — 160°C. The space groups in three different phases are identified as C2/c, P2/n (or Pn), and C2 for (NH₄)₃H(SO₄)₂ and (ND₄)₃D(SO₄)₂ crystals. No isotope effect on the structural phase transitions in these crystals could be detected by these studies. The occurrence of structural phase transitions caused by the reorientation of SO₄ groups and/or the shift of oxygen atoms from the sulfate atom in the SO₄ group are suggested from the diffraction photographs.     

Hydrothermal treatment of gadolinium oxide in presence of silica

Abstract

Hydrothermal and solvothermal (isopropanol) treatments of gadolinium oxide and silica were investigated under different pressure and temperature conditions. Products were examined by infrared vibrational spectroscopy (IR), x-ray powder diffraction (XRD) and thermal analysis (DTA, TG). Hexagonal gadolinium hydroxide was obtained in hydrothermal conditions, even in presence of silica, while no change was observed from isopropanolic medium treatment. Hydrothermally treated samples are more reactive as precursors for solid state reactions in inorganic synthesis.     

(Bi1-x Agx)2(Te1-ySey)3粉体的机械合金化制备及其放电等离子烧结体的热电输运特性

采用机械合金化制备了n型(Bi_1-xAg_x)₂(Te_1-ySe_y)₃合金粉体,对其进行XRD分析表明Bi,Te,Ag,Se单质粉末,经2h球磨后实现了合金化;SEM分析表明随着机械合金化时间延长粉体颗粒变得均匀、细小,颗粒尺寸在微米至亚微米数量级.采用放电等离子烧结制备了块体样品,研究了合金成分和球磨时间对热电性能的影响.结果表明材料的热电性能与掺杂元素有密切关系,Ag有利于提高功率因子和降低晶格热导率,球磨10h的(Bi_0.99Ag_0.01)₂(Te_0.96Se_0.04)₃合金粉末的烧结块体具有最大的功率因子和最低的晶格热导率,并在323K取得最高ZT值0.52. 关键词： 1-xAg_x)₂(Te_1-ySe_y)₃合金')" href="#">(Bi_1-xAg_x)₂(Te_1-ySe_y)₃合金 机械合金化 放电等离子烧结 热电性能     

Observation of rf SQUID characteristics in YBCO bulk at 77 K

RF SQUID behaviour due to grain boundary weak links in a bulk YBCO is observed at 77 K using modified commercial rf electronics. Porous samples with lowI _c are found to show this characteristic whereas dense samples with higherI _c do not show SQUID behaviour.V-B modulation characteristic is found to be better when the rf pumping frequency is kept slightly higher than the resonance frequency of the tank circuit. Designing of coil for tank circuit with appropriateQ has been found to be very crucial for seeing the SQUID behaviour. Estimation of parameters such as coupling constant, mutual inductance, inductance and radius of the SQUID loop, have been made and their significance is discussed. Flux noise spectrum of the bulk rf SQUID in flux locked mode is also reported.     

通过掺杂V和F提高碳包覆的磷酸铁锂锂离子电池的电化学性能

在原位聚合合成方法的基础上,结合两步烧结过程制得LiFe_1-xV_x(PO₄)_(3-y)/₃F_y/C.V和F掺杂对碳包覆的磷酸铁锂材料的结构、形貌和电化学性能有影响.通过XRD、FTIR、SEM、充/放电测试和电化学阻抗谱对材料的结构、形貌和电化学性能进行了表征.结果表明,V和F的掺杂并没有破坏橄榄石结构中的LiFePO₄/C,但可以提高晶体结构的稳定,降低电荷的转移阻抗,提高锂离子扩散速度,改善了LiFePO₄/C材料的循环性能和高倍率性能.     

DSC study of superionic phase transition in (NH4)4H2(SeO4)3 single crystals

DSC and complex impedance studies of the protonic conductor (NH₄)₄H₂(SeO₄)₃, which undergoes a superionic phase transition of first order at T_s = 378 K show that the activation energy of ionic conductivity d(lg σ)/dt and the ordering enthalpy ΔC_p of the crystal are proportional: d(lg σ)/dT = XΔC_p/RT_s + const, as found for MAg₄I₅ crystals undergoing a second-order superionic phase transition. Thus the short-range order environment of the species involved in fast-ion transport plays the main role in the superionic phase transition. This is also supported by the value of the entropy change at T_s, ΔS = 43 J/mole·K. A new metastable phase was found to be induced on heating the (NH₄)₄H₂(SeO₄)₃ crystal above T_s.     

The effect of Si surface nitridation on the interfacial structure and electrical properties of (La2O3)0.5(SiO2)0.5 high-k gate dielectric films

Thermal stability, interfacial structures and electrical properties of amorphous (La₂O₃)_0.5(SiO₂)_0.5 (LSO) films deposited by using pulsed laser deposition (PLD) on Si (1 0 0) and NH₃ nitrided Si (1 0 0) substrates were comparatively investigated. The LSO films keep the amorphous state up to a high annealing temperature of 900 °C. HRTEM observations and XPS analyses showed that the surface nitridation of silicon wafer using NH₃ can result in the formation of the passivation layer, which effectively suppresses the excessive growth of the interfacial layer between LSO film and silicon wafer after high-temperature annealing process. The Pt/LSO/nitrided Si capacitors annealed at high temperature exhibit smaller CET and EOT, a less flatband voltage shift, a negligible hysteresis loop, a smaller equivalent dielectric charge density, and a much lower gate leakage current density as compared with that of the Pt/LSO/Si capacitors without Si surface nitridation.     

Improvement of duty-cycle heating compensation in NMR spin relaxation experiments

To reliably measure NMR relaxation properties of macromolecules is a prerequisite for precise experiments that identify subtle variations in relaxation rates, as required for the determination of rotational diffusion anisotropy, CSA tensor determination, advanced motional modeling or entropy difference estimations. An underlying problem with current NMR relaxation measurement protocols is maintaining constant sample temperature throughout the execution of the relaxation series especially when rapid data acquisition is required. Here, it is proposed to use a combination of a heating compensation and a proton saturation sequence at the beginning of the NMR relaxation pulse scheme. This simple extension allows reproducible, robust and rapid acquisition of NMR spin relaxation data sets. The method is verified with (15)N spin relaxation measurements for human ubiquitin.     

不同粒径纳米Y2Ba4CuBiOy 相掺杂对TSIG法单畴YBCO超导块材性能的影响

本文采用顶部籽晶熔渗方法(TSIG), 研究了不同粒径纳米Y₂Ba₄CuBiO_y粒子对单畴YBCO超导块材的生长形貌、微观结构及其磁悬浮力的影响.实验所用纳米Y₂Ba₄CuBiO_y粉体的平均粒度分别为283.0 nm, 170.4 nm以及82.5 nm, 每种粉体在YBCO超导块材中的含量均为2 wt%. 研究结果表明: 在掺杂量为2 wt%的情况下, Y₂Ba₄CuBiO_y粉体的粒度并不影响样品的宏观形貌, 均可制备出单畴YBCO块材; 并且成功地将纳米Y₂Ba₄CuBiO_y粒子引入单畴YBCO块材中, 且使其均匀分布, 但样品中的Y₂Ba₄CuBiO_y粒子均小于其初始粉体的粒度, 分别减小到270 nm, 150 nm和50 nm; 随着Y₂Ba₄CuBiO_y粉体初始粒度的减小, 样品的磁悬浮力逐渐增大, 分别为10 N, 17 N, 22 N. 该结果为进一步研究纳米磁通钉扎中心的引入方法及提高YBCO超导块材的性能有重大意义.     

Natural brane-confinement from massive Z 2-spontaneously broken Kaluza-Klein excitations in the bulk

For a real scalar field minimally coupled to bulk gravity, in five dimensions, we analytically solve the Gordon equation, near one of the degenerated vacua of an effective potential with a spontaneously broken Z ₂-symmetry. Dealing with the back-reaction from the excited massive modes on the whole scale function, we are pointing out that the lighter excitations of the scalar in the bulk turn more and more the warp function into the one of a partition on the confined brane.      

Effect of Ca doping on the superconducting properties of GdBaSrCu3O7−δ bulk samples

Gd_1−xCa_xBaSrCu₃O_7−δ samples (0  x  0.1) were prepared via solid-state reaction. Four-point probes method was used for resistance versus temperature measurements. Results show decrease in T_c by increasing x content. This variation is assumed to be irrelevant to the different phases or impurity effects since X-ray patterns show all samples are tetragonal single-phase. Ca doping decreases the oxygen content and lattice parameters of the samples. It is suggested that Ca prevents the dislocation of oxygen, and then disrupts the hole concentration of the system and antiferromagnetic correlation at CuO₂ planes. Subsequently, destroys the superconductivity of the samples.     

The bulk effect of point defects on young's modulus in electron irradiated copper

Abstract

Pairs of copper samples—one for electrical resistivity, the other for Young's modulus measurements - were irradiated simultaneously at 120°K with 3 MeV electrons up to an integrated dose of 2 × 10²⁰ el/cm². The effect of dislocation pinning and the bulk effect of point defects on Young's modulus E could clearly be separated. The following relation between the bulk effect ΔE/E and the resistivity increase Δρ[Ωcm] was found: ΔE/E = ?25 × 10⁴ × Δρ. Besides strong annealing in stages II and III (180–300°K) and some annealing between 300–500°K, stage V annealing (500–600°K) also was found. In stage III the resistivity annealed more than Young's modulus. whereas the converse occurred in stage V. These measurements are discussed in connection with the electron microsopical observation of point defect clusters after electron irradiation at 120°K and heating to room temperature.

Probenpaare, bestehend aus einer Widerstandsprobe und einer Probe zur Messung des Elastizitätsmoduls, wurden gleichzeitig bei 120°K mit 3 MeV-Elektronen bis zu einer Dosis von 2 × 10²⁰ el/cm² bestrahlt. Die direkte Reein-flussung des E-Moduls durch die im Gitter verteilten Punktdefekte (Volumeneffekt) konnte getrennt von der Beeinflussung durch Versetzungsverankerung gemessen werden. Es ergab sich dabei folgende Beziehung zwischen relativer Modulanderung ΔE/E und strahlungsinduziertem Widerstand Δρ[Ωcm]: ΔE/E = ?25 × 10⁴ × Δρ. Neben starker Erholung in den Stufen II und III (180–300 °K) und schwacher Erholung zwischen 300–500°K wurde auβerdem Stufe V (500–600°K) beobachtet. In Stufe III erholte sich der Widerstand starker als der E-Modul, wahrend in Stufe V das umgekehrte der Fall war. Die Messungen werden diskutiert in Zusammenhang mit der elektronenmikroskopischen Beobachtung von Punktdefektclustern nach Elektronenbestrahlung bei 120°K und anschlieβender Erwärmung auf Raumtemperatur.     

The infrared and laser Raman spectra of K2Zn(SO4)2 · 6H2O

The Raman spectra of the single crystal of K₂Zn(SO₄)₂·6H₂O belonging toC _2h ⁵ space group in the 40–1200 cm⁻¹ region in different scattering geometries and their spectra ofthe microcrystalline salt in the 1500-50 cm⁻¹ region have been reported. The dynamics of the crystal has been described in terms of 186 phonon modes under the unit cell approximation. The weak bands in the region 400–900 cm⁻¹ have been assigned to the libratory modes of H₂O molecules in contradiction to the assignments reported by Ananthanarayanan. The ambiguities existing in the literature about the assignments ofν ₂ ^c andν ₅ ^c modes of [Zn(H₂O)₆]²⁺ have also been removed. The translatory and libratory modes of different units of the crystal have been identified and assignments are made using farir and Raman data on various isomorphous tutton salts. It has been inferred that both SO ₄ ²⁻ tetrahedron and [Zn(H₂O)₆]²⁺ octahedron undergo linear as well as angular distortions from their free state symmetries in the crystal.     

First principles investigation of hydrogen isotope effects in [XSO4–H–SO4X]− (X = H,K) complexes

Hydrogen isotope effects on geometries, total energies, nuclear and electronic wave functions of the [HO₃SO–H–OSO₃H]^? and [KO₃SO–H–OSO₃K]^? complexes are investigated with the NEO/HF method. This method determines both electronic and nuclear wave function simultaneously. A discussion of the isotope effects is provided and used to explain the hydrogen isotope effects on the phase transition temperatures in hydrogen bonded ferroelectric materials, K₃H(SO₄)₂ and K₃D(SO₄)₂.     

Quasi-two-dimensional magnetism in (CnH2n+1NH3)2CuCl4 studied by electron paramagnetic resonance

The quasi-two-dimensional magnetism in the layered transition metal compound (C_nH_2n+1NH₃)₂CuCl₄ (n=10, 14) was investigated by means of electron paramagnetic resonance (EPR) and superconducting quantum interference device measurements. As a result, the high temperature magnetic phase transitions were reflected in the EPR parameters in a sensitive manner.     

Optical study of the phase transitions in LiKSO4

The birefringence of LiKSO₄ has been measured over the range 27–700°C. The change in birefringence with heating and cooling is seen to be very different. Observations have been made on domains in (001) and (100) plates near the phase transitions.     

B位等价掺杂SrBi4Ti4O15铁电材料的性能研究

采用了传统的固相烧结工艺,制备了不同Zr和Hf掺杂量的SrBi₄Ti_4-xZr_xO₁₅（x=000,003, 006,010,020）和SrBi₄Ti_4－xHf_xO₁₅（x=000,0005, 0015,0030,0060）的陶瓷 关键词： 4Ti_4-xZr_xO₁₅')" href="#">SrBi₄Ti_4-xZr_xO₁₅ 4Ti_4－xHf_xO₁₅')" href="#">SrBi₄Ti_4－xHf_xO₁₅ 铁电性能 介电性能     

Ge(001)衬底上分子束外延生长高质量的Ge1-xSnx合金

Ge_1-xSn_x是一种新型IV族合金材料, 在光子学和微电子学器件研制中具有重要应用前景. 本文使用低温分子束外延(MBE)法, 在Ge(001)衬底上生长高质量的Ge_1-xSn_x合金, 组分x分别为1.5%, 2.4%, 2.8%, 5.3%和14%, 采用高分辨X射线衍射(HR-XRD)、卢瑟福背散射谱(RBS) 和透射电子显微镜(TEM)等方法表征Ge_1-xSn_x合金的材料质量. 对于低Sn组分(x≤ 5.3%)的样品, Ge_1-xSn_x合金的晶体质量非常好, RBS的沟道/随机产额比(χ_min)只有5.0%, HR-XRD曲线中Ge_1-xSn_x衍射峰的半高全宽(FWHM)仅100' 左右. 对于x=14%的样品, Ge_1-xSn_x合金的晶体质量相对差一些, FWHM=264.6'. 关键词： 锗锡合金 锗 分子束外延     

The density functional calculations on the structural and electronic properties of the endohedral fullerene dimer (N2@C60)2

The generalised gradient approximation based on density functional theory is used to study the structural and electronic properties of the endohedral fullerene dimer (N 2 @C 60) 2.Four N atoms sit at the cage centres in the form of two N 2 molecules.The density of states and Mulliken charge analysis explore that the energy levels from-6 to-10 eV are mainly influenced by the N 2 molecules.     

Blue luminescence in Tm-doped KGd(WO4)2 single crystals

Up-conversion blue emissions of trivalent thulium ions in monoclinic KGd(WO₄)₂ single crystals at 454 and 479 nm are reported for a single pump laser source at 688 nm. We grew thulium-doped KGd(WO₄)₂ single crystals at several concentrations from 0.1% to 10%. We recorded a polarized optical absorption spectrum for the ³F₂+³F₃ energy levels of thulium at room temperature and low temperature (6 K). From the low temperature emission spectra we determined the splitting of the ³H₆ ground state. The blue emissions are characterized as a function of the dopant concentration and temperature from 10 K to room temperature. To our knowledge, this is the first time that sequential two-photon excitation process (STEP) generated blue emissions in thulium-doped single crystals with a single excitation wavelength.