Growth Parameter Dependence of Structural Characterizations of Diluted Magnetic Semiconductor (Ga, Cr)As

We report the influence of growth parameters and post-growth annealing on the structural characterizations and magnetic properties of (Ga, Cr)As films. The crystalline quality and magnetic properties are sensitive to the growth conditions. The single-phase (Ga, Cr)As film with the Curie temperature of 10 K is synthesized at growth temperature T-s = 250 degrees C and with nominal Cr content x = 0.016. However, for the films with x > 0.02, the aggregation of Cr atoms is strongly enhanced as both T. and x increase, which not only brings strong compressive strain in the epilayer, but also roughens the surface. The origin of room-temperature ferromagnetism in (Ga, Cr)As films with nanoclusters is also discussed.

The effect of single AlGaN interlayer on the structural properties of GaN epilayers grown on Si (111) substrates

High-quality and nearly crack-free GaN epitaxial layer was obtained by inserting a single AlGaN interlayer between GaN epilayer and high-temperature AlN buffer layer on Si (111) substrate by metalorganic chemical vapor deposition. This paper investigates the effect of AlGaN interlayer on the structural proper-ties of the resulting GaN epilayer. It confirms from the optical microscopy and Raman scattering spectroscopy that the AlGaN interlayer has a remarkable effect on introducing relative compressive strain to the top GaN layer and preventing the formation of cracks. X-ray diffraction and transmission electron microscopy analysis reveal that a significant reduction in both screw and edge threading dislocations is achieved in GaN epilayer by the insertion of AlGaN interlayer. The process of threading dislocation reduction in both AlGaN interlayer and GaN epilayer is demonstrated.

Optical analysis of dislocation-related physical processes in GaN-based epilayers

In this paper, recent progresses in optical analysis of dislocation-related physical properties in GaN-based epilayers are surveyed with a brief review. The influence of dislocations on both near-band edge emission and yellow luminescence (YL) is examined either in a statistical way as a function of dislocation density or focused on individual dislocation lines with a high spatial resolution. Threading dislocations may introduce non-radiative recombination centers and enhance YL, but their effects are affected by the structural and chemical environment. The minority carrier diffusion length may be dependent on either dislocation density or impurity doping as confirmed by the result of photovoltaic spectra. The in situ optical monitoring of the strain evolution process is employed during GaN heteroepitaxy using an AIN interlayer. A typical transition of strain from compression to tension is observed and its correlation with the reduction and inclination of threading dislocation lines is revealed. (c) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Growth Parameter Dependence of Structural Characterizations of Diluted Magnetic Semiconductor (Ga, Cr)As

We report the influence of growth parameters and post-growth annealing on the structural characterizations and magnetic properties of (Ga, Cr)As films. The crystalline quality and magnetic properties are sensitive to the growth conditions. The single-phase (Ga, Cr)As film with the Curie temperature of 10 K is synthesized at growth temperature T-s = 250 degrees C and with nominal Cr content x = 0.016. However, for the films with x > 0.02, the aggregation of Cr atoms is strongly enhanced as both T. and x increase, which not only brings strong compressive strain in the epilayer, but also roughens the surface. The origin of room-temperature ferromagnetism in (Ga, Cr)As films with nanoclusters is also discussed.

Optical and structural properties of ZnO films grown on Si(100) substrates by MOCVD - art. no. 60290G

High quality ZnO films have been successfully grown on Si(100) substrates by Metal-organic chemical vapor deposition (MOCVD) technique. The optimization of growth conditions (II-VI ratio, growth temperature, etc) and the effects of film thickness and thermal treatment on ZnO films' crystal quality, surface morphology and optical properties were investigated using X-ray diffraction (XRD), atomic force microscopy (AFM), and photoluminescence (PL) spectrum, respectively. The XRD patterns of the films grown at the optimized temperature (300 degrees C) show only a sharp peak at about 34.4 degrees corresponding to the (0002) peak of hexagonal ZnO, and the FWHM was lower than 0.4 degrees. We find that under the optimized growth conditions, the increase of the ZnO films' thickness cannot improve their structural and optical properties. We suggest that if the film's thickness exceeds an optimum value, the crystal quality will be degraded due to the large differences of lattice constant and thermal expansion coefficient between Si and ZnO. In PL analysis, samples all displayed only ultraviolet emission peaks and no observable deep-level emission, which indicated high-quality ZnO films obtained. Thermal treatments were performed in oxygen and nitrogen atmosphere, respectively. Through the analysis of PL spectra, we found that ZnO films annealing in oxygen have the strongest intensity and the low FWHM of 10.44 nm(106 meV) which is smaller than other reported values on ZnO films grown by MOCVD.

Structure analysis of the SECRAL superconducting magnet system

An advanced superconducting ECR ion source named SECRAL has been constructed at Institute of Modern Physics of Chinese Academy of Sciences, whose superconducting magnet assembly consists of three axial solenoid coils and six sextupole coils with a cold iron structure as field booster and clamp. In order to investigate the structure of sextupole coils and to increase the structural reliabilities of the magnet system, global and local structural analysis have been performed in various operation scenarios. Winding pack and support structure design of magnet system, mechanical calculation and stress analysis are given in this paper. From the analysis results, it has been found that the magnet system is safe in the referential operation scenarios and the configuration of the magnet complies with design requirements of the SECRAL.

Bonding and correlation analysis of various SiCO isomers

The structural properties for various SiCO isomers in the singlet and triplet states have been investigated using CASSCF methods with a 6-311 +G* basis set and also using three DFT and MP2 with same basis set for those systems except for the linear singlet state. The detailed bonding character is discussed, and the state-state correlations and the isomerization mechanism are also determined. Results indicate that there are four different isomers for each spin state, and for all isomers, the triplet state is more stable than the corresponding singlet state. The most stable is the linear SiCO ((3)Sigma(-)) species and may be refer-red to the ground state. At the CASSCF-MP2(full)/6-311+G* level, the state-state energy separations of the other triplet states relative to the ground state are 43.2 (cyclic), 45.2 (linear SiOC), and 75.6 kcal/mol (linear CSiO), respectively, whereas the triplet-singlet state excitation energies for each configuration are 17.3 (linear SiCO), 2.2 (cyclic SiCO), 10.2 (linear SiOC), and 18.5 kcal/mol (linear CSiO), respectively. SiCo ((3)Sigma(-)) may be classified as silene (carbonylsilene), and its COdelta- moiety possesses CO- property. The dissociation energy of the ground state is 42.5 kcal/mol at the CASSCF-MP2(full)/6-311+G* level and falls within a range of 36.5-41.5 kcal/mol at DFT level, and of 23.7-28.9 kcal/mol at the wave function-correlated level, whereas the vertical IP is 188.8 kcal/mol at the CASSCF-MP2(full)/6-311+G* level and is very close to the first IP of Si atom. Three linear isomers (SiCO, SiOC, and CSiO) have similar structural bonding character. SiOC may be referred to the iso-carbonyl Si instead of the aether compound, whereas the CSiO isomer may be considered as the combination of C (the analogue of Si) with SiO (the analogue of CO). The bonding is weak for all linear species, and the corresponding potential energy surfaces are flat, and thus these linear molecules are facile. Another important isomer is of cyclic structure, it may be considered as the combination of CO with Si by the side pi bond. This structure has the smallest triplet state-singlet state excitation energy (similar to2.2 kcal/mol); the C-O bonds are longer, and the corresponding vibrational frequencies are significantly smaller than those of the other linear species. This cyclic species is not classified as an epoxy compound. State-state correlation analysis and the isomerization pathway searches have indicated that there are no direct correlations among three linear structures for each spin state, but they may interchange by experiencing two transition states and one cyclic intermediate. The easiest pathway is to break the Si-O bond to go to the linear SiCO, but its inverse process is very difficult. The most difficult process is to break the C-O bond and to go to the linear CSiO.

Analysis of norditerpenoid alkaloids extracted from Aconitum sinomantanum Nakai by electrospray ionization tandem mass spectrometry

Electrospray ionization mass spectrometry (ESI-MS) was applied simultaneously in determining norditerpenoid alkaloids from the roots of Aconitum sinomantanum Nakai ( RAS) based on molecular mass information. The tandem mass spectra (ESI-MSn) provided the alkaloidal structural information, through which the existence of these alkaloids was further confirmed. Accordingly, six known norditerpenoid alkaloids were simultaneously determined on the basis of their ESI-MSn spectra. Furthermore, based on the diagnostic fragmentation pathways of alkaloidal MSn, a rapid method for direct detection and characterization of alkaloids from an ethanolic extract of RAS was described.

Synthesis and structural characterization of organolanthanide complexes with 1,2-dicarba-closo-dodecaborane-1,2-dichalcogenolate ligands

Reactions of anhydrous LnCl(3) (Ln = Nd, Gd, Dy, Er, Yb) with 2 equiv of LiCp' in THF afford the lanthanocene complexes Of CP'(2)Ln(mu-Cl)(2)Li(THF)(2) (CP' = eta(5)-t-BuC5H4, Ln = Nd (1), Gd (2), Dy (3), Er (4), Yb (5); Cp'= 1,3-eta(5)-t-Bu2C5H3, Ln = Nd (6), Gd (7), Dy (8), Er (9), Yb (10)). The molecular structures of 7 and 8 were characterized by X-ray crystallographic analysis. In these complexes, two Cp' ring centroids and two it-bridging chloride atoms around the lanthanide atoms form a distorted tetrahedron. The insertion of elemental chalcogen E (E = S, Se) into Li-C bonds of dilithium o-carborane in THF solution afforded dimers of dilithium. dichalcogenolate carboranes, [(THF)(3)LiE2C2B10H10Li(THF)](2) (E = S (12a), Se (12b)), which were confirmed by a crystal structure analysis. Reactions Of Cp'(2)Ln(mu-Cl)(2)Li(THF)(2) (1-10) with 12a or 12b gave dinuclear complexes of the formula [Li(THF)(4)](2)[Cp'(2)LnE(2)C(2)B(10)H(10)](2) (Cp'= eta(5)-t-BuC5H4, E = S, Ln = Nd (13a), Gd (14a), Dy (15a), Er (16a), Yb (17a); E = Se, Ln = Nd (13b), Gd (14b), Dy (15b), Er (16b), Yb (17b); Cp'= 1,3-eta(5)-t-Bu2C5H3 E = S, Ln = Nd (18a), Gd (19a), Dy (20a), Er (21a), Yb (22a); E = Se, Ln = Nd (18b), Gd (19b), Dy (20b), Er (21b), Yb (22b)). According to the X-ray structure analyses, the dianions of 13a and 13b contain two o-carborane dichalcogenolate bridges, and each CP'2Ln fragment is attached to one terminal and two bridging chalcogen ligands. The central Ln(2)E(2) four-membered ring is not planar, and the direct metal-metal interaction is absent.

Hydrothermal synthesis and structural characterization of a novel P-V-O layered compound [H(2)en](2)[H3O](6)[Co(H2O)(2)(VO)(8)(OH)(4)(PO4)8]

A new compound [H(2)en](2)[H3O](6)[Co(H2O)(2)(VO)(8)(OH)(4)(PO4)(8)] has been hydrothermally synthesized. Single crystal X-ray analysis indicates that this compound crystallizes in a monoclinic system, space group P2(1)/n with a=1.438 5(3) nm, b=1.012 2(2) nm, c=1.832 5(4) nm, beta=90.21degrees, V=2.668 2 (9) nm(3), Z = 2, D-c = 2.112 g/cm(3), R = 0.055, wR = 0.149 7, S = 1.037. The structure of [H(2)en](2)[H3O](6)[Co(H2O)(2)(VO)(8)(OH)(4)(PO4)(8)] is characterized by P-V-O layers constructed by [(VO)4 (OH)(2)(PO4)(4)](6-) non-symmetric units. The P-V-O layers are pillared by [Co(H2O)(2)](2+) group, resulting in the channels within which the protonated diaminoethane and H3O+ are located.

Synthesis, properties and structural characterization of an intermolecular photosensitive complex: (HGly-Gly)(3)PMo12O40 center dot 4H(2)O

The first heteropoly acid-dipeptide complex, (HGly-Gly)(3)PMo12O40.4H(2)O, was synthesized and characterized by elemental analysis, IR, UV, H-1 NMR and single crystal X-ray diffraction. The X-ray crystallographic study showed that the crystal structure was constructed from N-H...O and O-H...O hydrogen bonds among the (HGly-Gly)(+), H2O and PMo12O403- units. This structure represents a model interaction between polyoxometalates and proteins. The complex has photosensitivity under irradiation by sunlight. The fluorescent activity of this compound is also reported.

Hydrothermal synthesis and structural characterization of a novel organic-inorganic hybrid compound {[Cu(2, 2 '-bpy)(2)](2)-Mo8O26}

A novel organic-inorganic hybrid compound {[Cu (2, 2'-bpy)(2)](2)Mo8O26} has been hydrothermally Synthesized and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes in the orthorhombic space group, Pna2(1), with a=2.4164 (5), b=1.8281 (4), c=1.1877 (2) nm, V=5.247(2) nm(3), Z=4, and final R-1=0.0331, wR(2)=0.0727. The structure consists of discrete {[Cu(2,2'-bpy)(2)](2)Mo8O26} clusters, constructed from a beta -octamolybdate subunit[Mo8O26](4-) covalently bonded to two [Cu(2,2'-bpy)(2)](2+) coordination complex cations via bridging oxo groups. In addition, the spectroscopic properties and thermal behavior of this compound have been investigated by spectroscopic techniques (UV-vis, IR, Raman and EPR spectra) and TG analysis.

A novel dimer - Heteropolytungstate with a vanadium atom as the centre - Synthesis and structural characterization of (H3O)(4)[VW12O40Na (H2O)(4)](2)

A novel dimer-tungstovanadate, (H3O)(4)[VW12O40Na (H2O)(4)](2), was hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction, IR spectra, TGA-DSC thermal analysis and polarograpy. The yellowish crystal crystallized in the triclinic system, space group P1, a = 1.464 5(3) nm, b = 1.468 6(3) nm, c = 1.411 1(3) nm, alpha = 111.82(2)degrees, beta = 93.17(3)degrees, gamma = 117.47(3)degrees, V = 2.210 6(8) nm(3), Z = 1, D-c = 4.552 g . cm(-3), lambda (Mo K alpha) = 0.071 073 nm, mu = 31.402 mm(-1) F(000) = 2 6481 R = 0.078 0. The title compound consists of two Keggin structure units linked together with two hydrated sodium cations to form a dimer with a porous structure with the pore dimension of 0.766 nm X 0.778 5 nm.

Synthesis and crystal structure of [Nd(eta(6)-1,3,5-C6H3Me3)(AlCl4)(3)]( C6H6) and structural comparison of Ln(eta(6)-arene)(AlCl4)(3)

Reaction of NdCl3, with AlCl3 and mesitylene in benzene gives complex [Nd(eta (6)-1,3,5-C6H3Me3) (AlCl4)(3)] (C6H6) (1) which was characterized by elemental analysis, IR spectra, MS and X-lay diffractions. The X-ray determination indicates that 1 has a distorted pentagonal bipyramidal geometry and crystallizes in the monoclinic, space group P2(1)/n with a = 0.9586(2), b = 1.1717(5), c = 2.8966(7) nm, beta = 90.85 (2)degrees, V = 3.2529(6) nm(3), D-c = 1.573 g/cm(3), Z = 4. A comparison of bond parameters for all the reported Ln(eta (6)-Ar) (AlCl4)(3) complexes indicates that the bond distance of Ln-C is shortened with the increasing of methyl group on benzene and with the decreasing of radius of lanthanide ions.