钾掺杂对三联苯的超导特性探寻

新型超导材料的设计合成及其超导机理的探索是目前凝聚态物理学领域的重要研究方向. 本文采用高真空热烧结方法制备了钾掺杂对三联苯粉末材料并表征了它们的晶体结构、分子振动、磁学及超导特性. X射线衍射图谱和拉曼光谱表明在烧结样品中除存在钾掺杂对三联苯和KH外, 还含有苯环重组的C₆₀和石墨成分. 拉曼光谱中部分峰位的红移进一步证实钾成功掺入对三联苯分子晶体中并将4 s电子转移到C原子上. 零场冷却磁性测量结果表明: 多数样品在整个温度测量区间表现为居里顺磁性, 但少数样品呈现出抗磁性, 而且在17.86, 10.00 和6.42 K三个温度点出现磁化率突降的反常行为, 其中17.86 K处的突降很可能源于钾掺杂C₆₀引起的超导转变, 而后两者可能与钾掺杂对三联苯导致的超导相关. 研究结果有助于理解金属掺杂芳香烃有机超导体这一新兴超导家族的晶体生长和物理特性, 同时也提供了一种低温制备C₆₀和石墨的新方法.     

Low temperature structural phase transition in hafnium and zirconium tetrafluoride trihydrates

From time-differential perturbed angular correlation (TDPAC) measurements, the monoclinic and triclinic crystal structures in hafnium and zirconium tetrafluoride trihydrates are found to be present simultaneously in both the compounds. From previous TDPAC and XRD investigations, a monoclinic crystal structure for HfF₄·3H₂O but, for its analogues zirconium compound, a triclinic structure was reported. Contrary to earlier reports, the triclinic fraction in HfF₄·3H₂O is found to be maximum (80%) at room temperature. In fact, the triclinic crystal structure of HfF₄·3H₂O is reported here which was not known prior to this report. In ZrF₄·3H₂O, a strong signal (80–90%) for the triclinic structure is found at room temperature while the monoclinic fraction appears as a weak signal (10–15%). Structural phase transitions in these trihydrate compounds have been observed in the temperature range 298–333 K.     

Stability and electronic properties of carbon in α-Al2O3

The stability and electronic properties of carbon in α-Al₂O₃ are investigated using density functional theory. In the host lattice, the substitutional C prefers the Al site under the O-rich conditions, whereas the O site is preferred by carbon under the Al-rich conditions. The calculated results predict a direct relationship between the thermodynamic and optical transition levels with the degree of the local distortion induced by C in the alumina lattice. We also find C at the O site acts as a charge compensator to stabilize the F⁺ center, thereby enhancing the TL signal at 465 K. Also, C at Al site can serve as electron traps for TL emission process in α-Al₂O₃.     

Physical properties of the cubic spinel LiMn2O4

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 (E_F)) 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)$N\left(E_F\right)$ 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.     

Low-density carbon material modified with pyrolytic carbon

Here we report a physicochemical investigation of low-density carbon materials modified with pyrolytic carbon (PC). Exfoliated graphite (EG) obtained by nitrate expandable graphite thermal destruction was pressed into low-density graphite materials (LDGMs) with densities of 0.045-0.50 g/cm³ and saturated with PC by impact CVI technique. LDGM infiltration with PC leads to sample weight and density growth. The amount of deposited PC strictly depends on synthesis conditions. The maximum surface and volume deposition of PC occurred for samples with density of 0.05 g/cm³. XRD, Raman spectroscopy and scanning electron microscopy revealed that the deposited PC is of smooth laminar (SL) type. Composite thermal conductivity is about 2-3.5 Wt/m K.     

Anomalous temperature dependence of elastic constant c44 in V, Nb, Ta, Pd, and Pt

The anomalous temperature dependence of elastic constant c₄₄ for elements V, Nb, Ta, Pd, and Pt, has been calculated using first-principles theory. It is shown that the variation of elastic constant for simple elements can be approximated as the sum of thermal expansion and electronic components. The thermal expansion contributes the normal linearly decreasing effect to the elastic constant with temperature, while electronic contribution is determined by the unique character of electronic structure of elements and leads to the anomalous effect to the elastic constant with temperature.     

Growth of large La2−xSrxCuO4 single crystals using tilting-mirror-type infrared heating image furnace

Large single crystals of La_2−xSr_xCuO₄ (LSCO) high-T_c superconductors were grown by the infrared heating floating zone (IR-FZ) method using a tilting-mirror-type image furnace. The maximum diameter of the LSCO crystals increased to 10 mm in the tilting-mirror-type image furnace from 6 mm in the conventional image furnace. CuO rich feeds were required for the crystal growth using the tilting-mirror-type image furnace to compensate for the lack of CuO caused by the significant evaporation of CuO during the growth. The evaporation of CuO was affected by the tilting angle of the mirrors of the image furnace and by feed diameter. The optimized growth conditions were as follows: mirror tilting angle, 20°; feed diameter, 10 mm∅; and feed composition 50.7 mol% CuO.     

Effects of preheating on diaspore: Modifications in colour centres, structure and light emission

The thermal properties and thermal stability of diaspore-corundum (AlOOH-Al₂O₃), from Goian (Pontevedra, Spain) were studied by means of differential thermal analysis (DTA), thermogravimetry (TG), high temperature X-ray diffraction (HTXRD) and thermally stimulated luminescence (TL) techniques. The samples were annealed to link the combined effect of (i) dehydroxylation, (ii) oxidation-reduction of chromophores (Mn 0.5%, Fe₂O₃ 0.12%, TiO₂ 0.021% and Cr 80 ppm) determined by inductively coupled plasma-atomic emission spectrometry (ICP-AES) and (iii) phase transitions whilst sample heating (i.e. α-AlOOH→α′-Al₂P₃→α-Al₂O₃). The blue colour of diaspore, attributed to the Ti⁴⁺-Fe²⁺ intervalence-charge-transfer mechanism, turns to white (circa 500 °C) in good agreement with the DTA endothermic peak (dehydroxylation). The coexistence of α-AlOOH and α′-Al₂P₃ phases has been detected by in situ HTXRD and could be correlated to the thermoluminescence tests performed on preheated aliquots (up to 500 °C).     

Polystyrene-co-maleic acid/CdS nanocomposites: Preparation and properties

Composites of CdS nanoparticles confined in a polystyrene-co-maleic acid (PS-co-MAc) matrix have been prepared and characterized. It was shown that the acid groups of the co-polymer could be successfully used to control the aggregation of the nanoparticles, because they act as coordinate sites for Cd ions. UV-VIS measurements showed a blue shift of the absorption threshold, proving the presence of nanoparticles. An average size of the nanoparticles of about 4 nm is estimated from the change in band gap energy. Although the FTIR spectrum of the nanocomposite showed the presence of C-S bonds, a broad emission originating from surface recombination sites are noticed. DSC and TGA measurements revealed changes in thermal properties upon incorporation of nanoparticles. No thermal transition was observed in the nanocomposite, while the pure co-polymer exhibits a glass transition at 190 °C. In the presence of nanoparticles the onset of the thermal decomposition of the matrix is also shifted by 50 °C towards a higher temperature.     

In situ X-ray observation of phase transformation in Fe2O3 at high pressures and high temperatures

A laser-heated sample in a diamond anvil cell and synchrotron X-ray radiation was used to carry out structural characterization of the phase transformation of Fe₂O₃ at high pressures (30-96 GPa) and high temperature. The Rh₂O₃(II) (or orthorhombic perovskite) structure transforms to a new phase, which exhibits X-ray diffraction data that are indicative of a CaIrO₃-type structure. The CaIrO₃-type structure exhibited an orthorhombic symmetry (space group: Cmcm) that was stable at temperatures of 1200-2800 K and pressure of 96 GPa (the highest pressure used). Unambiguous assignment of such a structure requires experimental evidence for the presence of two Fe species. Based on the equation of state of gold, the phase boundary of the CaIrO₃-type phase transformation was P (GPa)=59+0.0022×(T−1200) (K).