CaPtAs: A new noncentrosymmetric superconductor

We report the discovery of a new noncentrosymmetric superconductor CaPtAs.It crystallizes in a tetragonal structure(space group I41md,No.109),featuring three dimensional honeycomb networks of Pt-As and a much elongated c-axis(a=b=4.18?,and c=43.70?).The superconductivity of CaPtAs with Tc=1.47 K was characterized by means of electrical resistivity,specific heat,and ac magnetic susceptibility.The electronic specific heat Ce(T)/T shows evidence for a deviation from the behavior of a conventional BCS superconductor,and can be reasonably fitted by a p-wave model.The upper critical fieldμ0Hc2 of CaPtAs exhibits a moderate anisotropy,with an in-plane value of around 204 mT and an out-of-plane value of 148 mT.Density functional theory calculations indicate that the Pt-5 d and As-4 p orbitals mainly contribute to the density of states near the Fermi level,showing that the Pt-As honeycomb networks may significantly influence the superconducting properties.     

KCs2[Pb2Br5(HCOO)2]: A Polar 3D Lead-Bromide Framework Exhibiting Strong Second-Harmonic Generation Response

The discovery of new nonlinear optical (NLO) crystals with excellent properties is in urgently demand because of their ability to generate coherent light. Herein, we report an unique NLO lead bromide formate, KCs₂[Pb₂Br₅ (HCOO)₂], which has been synthesized by a mix-solvothermal method. KCs₂[Pb₂Br₅(HCOO)₂] exhibits strong phase-matching second-harmonic generation (SHG) response (6.5×KDP), large birefringence (0.16@ 1064 nm), and a wide transparent window in most visible light and mid-IR region. Interestingly, KCs₂[Pb₂Br₅(HCOO)₂] features a polar 3D lead-bromide framework in which adjacent Pb−Br layers containing coplanar Pb₆Br₆ rings are not only parallel to each other, but also orient in the same direction. These oriented arrangements are responsible for the strong SHG response and large birefringence that are elucidated by both local dipole moment and theoretical calculations. This research provides a new strategy to explore subsequent NLO crystals.     

New hydrophobic L‐amino acid salts: maleates of L‐leucine,L‐isoleucine and L‐norvaline

Crystals of maleates of three amino acids with hydrophobic side chains [L‐leucenium hydrogen maleate, C₆H₁₄NO₂⁺·C₄H₃O₄⁻, (I), L‐isoleucenium hydrogen maleate hemihydrate, C₆H₁₄NO₂⁺·C₄H₃O₄⁻·0.5H₂O, (II), and L‐norvalinium hydrogen maleate–L‐norvaline (1/1), C₅H₁₁NO₂⁺·C₄H₃O₄⁻·C₅H₁₂NO₂, (III)], were obtained. The new structures contain C₂²(12) chains, or variants thereof, that are a common feature in the crystal structures of amino acid maleates. The L‐leucenium salt is remarkable due to a large number of symmetrically non‐equivalent units (Z′ = 3). The L‐isoleucenium salt is a hydrate despite the fact that L‐isoleucine is a nonpolar hydrophobic amino acid (previously known amino acid maleates formed hydrates only with lysine and histidine, which are polar and hydrophilic). The L‐norvalinium salt provides the first example where the dimeric cation L‐Nva...L‐NvaH⁺ was observed. All three compounds have layered noncentrosymmetric structures. Preliminary tests have shown the presence of the second harmonic generation (SGH) effect for all three compounds.     

Overall values of conventional discrepancy indices for related and unrelated models of a non-centrosymmetric crystal with a centrosymmetric group

Theoretical expressions for the overall values of the conventional discrepancy indicesR(F) andR(I) are derived for a non-centrosymmetric crystal with a centrosymmetric group by taking the centrosymmetric group and a part of the other atoms in the unit cell as the trial structure. These results are used to obtain tables of values of these indices in terms of the parameter σ _1c ² and σ ₁ ² which define the fractional contribution to the local mean intensity from the centrosymmetric group and all the known atoms respectively. Contribution No. 561     

A SHG-active manganese coordination polymer with noncentrosymmetric structure based on achiral carboxyphosphinate ligand

The hydrothermal reaction of MnSO₄ with the achiral 2-carboxyethyl(phenyl)phosphinate ligand (H₂L) afforded a 2?D coordination polymer manganese phosphinate, [Mn(HL)₂]_n (1) (H₂L?=?2-carboxyethyl(phenyl) phosphinic acid). It contains two types of dimeric ring motifs, which can generate a layer structure through edge-sharing. The interlayer stacking by C-H…π interactions between the C-H groups of the phenyl rings of HL^- and the phenyl rings of the adjacent layers results in its crystallization in a noncentrosymmetric crystal structure with (4³)₂(4⁶·6⁶·8³) topology. Compound 1 shows a second harmonic generation response that is 0.8 times that of urea. The luminescence spectrum indicates an emission maximum at 457?nm, attributed to an intra-ligand emission state.     

Novel 0–π transitions in Josephson junctions between noncentrosymmetric superconductors

We study the Josephson effect between two noncentrosymmetric superconductors(NCSs) with opposite polarization vectors of Rashba spin–orbit coupling(RSOC).We find a 0–π transition driven by the triplet–singlet ratio of NCSs.Different from conventional 0–π transitions,the Andreev bound states change their energy range instead of phase shift in the 0–π transition found here.This novel property results in a feature that the critical current becomes almost zero at the transition point,not only a minimum.Furthermore,when the directions of RSOC polarization vectors are the same in two NCSs,the similar effect can also be found in the presence of a perpendicular exchange field or a Dresselhause spin–orbit coupling in the interlayer.We find novel oscillations of critical current without 0–π transition.These novel 0–π transitions or oscillations of critical current present new understanding of the Josephson effect and can also serve as a tool to determine the unknown triplet–singlet ratio of NCSs.     

关于空间判断失误的扎记Ⅳ.单斜晶系:从非心到有心空间群

报道了 12个从单斜无心修正为单斜有心的晶体结构。其中 1例从C2修正到C2 /m ,2例从P2 1 到P2 1 /c。 9例从Cc到C2 /c ,除Cc修正到C2 /c的 6例已见诸文献外 ,列出其余 6例在较高对称空间群下的原子坐标     

Synthesis, characterization, and X-ray crystal structure of di-(2,4-imidazolidinedione-5-ethyl)disulfide, C10H14N4O4S2

Di-(2,4-imidazolidinedione-5-ethyl)disulfide or homocystine hydantoin, C₁₀H₁₄N₄O₄S₂ (I), crystallizes in the non-centrosymmetric space group P2₁ (No. 4) with two molecules in the unit cell with a = 7.132(1), b = 9.282(2), c = 10.770(2) Å and = 105.68(1)°. The two imidazolidinedione rings are planar with a dihedral angle of 46.9°. The rings are joined by a diethyl disulfide bridge at chiral centers on the rings. The C-S-S-C torsion angle is –80°(–sc). The absolute stereochemistry of the chiral centers was determined to be (5S, 5S), = + 0.92 (11). Important bond distances include: S-S = 2.022(4); S-C (mean) = 1.809(8); and C=O (mean) = 1.224(7) Å. The compound is stabilized by a network of intermolecular carbonyl-to-amine hydrogen bonding and van der Waals cohesive forces.     

非中心对称超导体Mg10±δIr19B16?δ的超导电性研究

Mg_10±δIr₁₉B_16δ是具有非中心对称性的超导材料. 通过对两种组分的样品Mg_9.3Ir₁₉B_16.7和Mg₁₁Ir₁₉B₁₅的比热测量, 得到了这类超导体的超导态和正常态的特征参数：包括转变温度T_C, 正常态态密度N(E_F), 德拜温度Θ_D, 上临界场H_C2等. 并由此求出Ginzburg-London相干长度ξ_GL, 穿透深度λ_GL, 下临界场H_C1和热力学临界场H_C. 这些参数因化学组分不同而变化. 高的N(E_F)和Θ_D对应高的T_C, 因此也具有较高的H_C2. 另外比热跃变ΔC/γ_nT_C=1.66 和电声子耦合常数λ=0.58不随化学组分变化, 表明此超导体是中等强度耦合的第二类超导体. 关键词： 非中心对称超导体 比热     

Intense blue-emitting Ca5Al8O14: Eu phosphor for mercury free lamp

The calcium aluminates doped with Eu ions, Ca₅Al₈O₁₄: Eu, phosphors are prepared by the combustion method. The formation of crystalline aluminates was confirmed by X-ray diffraction pattern. The prepared phosphors were characterized by SEM, TGA, DTA, particle size analyzer and Photoluminescence (PL) techniques. From the UV-excited luminescence spectra it was found that the Eu ions acts as a luminescent centre with luminescence at the blue (λ _max = 470 nm) region due to 4f ⁶5d ¹ → 4f ⁷ transition. The excitation spectra show the broad band at 355 nm wavelength (λ _em = 470 nm). The excitation 355 nm is a mercury free excitation and therefore Ca₅Al₈O₁₄: Eu may be useful for the solid state lighting phosphor in lamp industry.