Binding energy of a hydrogenic donor impurity in a rectangular parallelepiped-shaped quantum dot: Quantum confinement and Stark effects

We calculate the binding energy of a hydrogenic donor impurity in a rectangular parallelepiped-shaped quantum dot (QD) in the framework of effective-mass envelope-function theory using the plane wave basis. The variation of the binding energy with edge length, position of the impurity, and external electric field is studied in detail. A finite potential model is adopted in our calculations. Compared with the infinite potential model [C. I. Mendoza , Phys. Rev. B 71, 075330 (2005)], the following results are found: (1) if the impurity is located in the interior of the QD, our results give a smaller binding energy than the infinite potential model; (2) the binding energies are more sensitively dependent on the applied electric field in the finite potential model; (3) the infinite potential model cannot give correct results for a small QD edge length for any location of the impurity in the QD; (4) some degeneracy is lifted when the dot is no longer cubic. (C) 2007 American Institute of Physics.

Mass spectrometric studies of metallofullerene

The endrohel metallofullerene, Gd@C-82, Gd@C-80, Gd-2@C-80 were synthesized by using K-H method. The technique of two-step of high pressure and high temperature extraction with 1, 3, 5-trimethylbenzene (first step) and pyridine(second step) has been successfully utilized to extract metallofullerene of Gd@C-82 The gas-phase negative ions of fullerenes C-n(n= 60, 70, 78, 82, 84...) and metallofullerene (Gd@C-82) have been studied by the ESI-MS, REC-MS and MALDI-TOF-MS. The differences among the mass spectra of ESI-MS, REC-MS and MALDI-TOF-MS have been observed and explained. In contrast to the empty fullerene C-82 , the metallofullerene Gd@C-82 should have a larger HOMO-LUMO gap. Experimental results suggest that Gd@C-82 is polarized and Gd3+ located in the off-center position of C-82 cage after Gd3+ is trapped into C-82 cage.

Variational calculations of ionized-donor-bound excitons in GaAs-AlxGa1-xAs quantum wells

Using a two-parameter wave function, we calculate variationally the binding energy of an exciton bound to an ionized donor impurity (D+,X) in GaAs-AlxGa1-xAs quantum wells for the values of the well width from 10 to 300 Angstrom, when the dopant is located in the center of the well and at the edge of the well. The theoretical results confirm that the previous experimental speculation proposed by Reynolds tit al. [Phys. Rev. B 40, 6210 (1989)] is the binding energy of D+,X for the dopant at the edge of the well. in addition, we also calculate the center-of-mass wave function of the exciton and the average interparticle distances. The results are discussed in detail.

Binding energy of ionized-donor-bound excitons in the GaAs-AlxGa1-xAs quantum wells

The binding energy of an exciton bound to an ionized donor impurity (D+,X) located st the center or the edge in GaAs-AlxGa1-xAs quantum wells is calculated variationally for the well width from 10 to 300 Angstrom by using a two-parameter wave function, The theoretical results are discussed and compared with the previous experimental results.

EFFECTS OF AN EXTERNAL MAGNETIC-FIELD ON SHALLOW DONOR LEVELS IN SEMICONDUCTORS

An extension of Faulkner's method for the energy levels of the shallow donor in silicon and germanium at zero field is made in order to investigate the effects of a magnetic field upon the excited states. The effective-mass Hamiltonian matrix elements of an electron bound to a donor center and subjected to a magnetic field B, which involves both the linear and quadratic terms of magnetic field, are expressed analytically and matrices are solved numerically. The photothermal ionization spectroscopy of phosphorus in ultrapure silicon for magnetic fields parallel to the [1,0,0] and [1,1,1] directions and up to 10 T is explained successfully.

Entangled metal-organic frameworks modulated by N-donor ligands of different conformations

Based on the aromatic dicarboxylic acid and N-donor ligands with different conformations, four Zn(II) metal-organic frameworks, namely [Zn(mfda)(L-1)](1), [Zn-2(mfda)(2)(L-2)]center dot DMF center dot H2O (2), [Zn-2(mfda)(2)(L-3)(H2O)]center dot DMF (3) and [Zn-2(mfda)(2)(L-4)] (4) have been synthesized (mfda = 9,9-dimethylfluorene-2,7-dicarboxylate anion, L-1 = 1,10-phenanthroline, L-2 = 4,4 '-bipyridine, L-3 = 2,5-bis(4-pyridyl)-1,3,4-ocadiazole and L-4 = 1,4-bis(imidazol-1-ylmethyl)benzene). Single-crystal X-ray diffraction has revealed that all compounds exhibit entangled structures. Compound 1 is composed of 1D zigzag chains that are entangled through the pi-pi stacking interactions to generate a three-fold interpenetrating diamond-like networks.

Hydrothermal syntheses and crystal structures of bimetallic cluster complexes [{Cd(phen)(2)}(2)V4O12]center dot 5H(2)O and [Ni(phen)(3)](2)[V4O12]center dot 17.5H(2)O

The hydrothermal reactions of vanadium oxide starting materials with divalent transition metal cations in the presence of nitrogen donor chelating ligands yield the bimetallic cluster complexes with the formulae [{Cd(phen(2))(2)V4O12].5H(2)O (1) and [Ni(phen)(3)](2)[V4O12] . 17.5H(2)O (2). Crystal data: C48H52Cd2N8O22V4 (1), triclinic. P (1) over bar, a = 10.3366(10), b = 11.320(3), c = 13.268(3) Angstrom, alpha = 103.888(17)degrees, beta = 92.256(15)degrees, gamma = 107.444(14)degrees, Z = 1; C72H131N12Ni2O29.5V4 (2), triclinic. P (1) over bar, a = 12.305(3), b = 13.172(6), c = 15.133(4), alpha = 79.05(3)degrees, beta = 76.09(2)degrees, gamma = 74.66(3)degrees, Z = 1. Data were collected on a Siemens P4 four-circle diffractometer at 293 K in the range 1.59degrees < theta < 26.02degrees and 2.01degrees < 0 < 25.01degrees using the omega-scan technique, respectively. The structure of 1 consists of a [V4O12](4-) cluster covalently attached to two {Cd(phen)(2)}(2+) fragments, in which the [V4O12](4-) cluster adopts a chair-like configuration. In the structure of 2, the [V4O12](4-) cluster is isolated. And the complex formed a layer structure via hydrogen bonds between the V4O12](4-) unit and crystallization water molecules.

Hydrothermal synthesis and characterization of bimetallic cluster complex [{Mn(phen)(2)}(2)V4O12]center dot 1/2 H2O

A new bimetallic cluster complex with the formula [(Mn(phen)(2))(2)V4O12].1/2 H2O has been synthesized through hydrothermal reaction of vanadate staring material with manganese cation in the presence of nitrogen donor chelating ligand and characterized by single-crystal X-ray diffraction, elemental analysis, IR UV-vis, ESR spectrum and thermal analysis. The compound crystallize in the monoclinic space group P2(1)/c with a = 18.475(4) Angstrom, b = 11.473(2) Angstrom, c = 23.667(5) Angstrom, beta = 97.76(3)degrees, V = 4971(2) Angstrom(3) and Z = 4. The structure of [{Mn(phen)(2)}(2)V4O12].1/2 H2O is composed of a discrete V4O124- cluster covalently attached to two [Mn(phen)(2)](2+) fragments.

Morphological Evolution During Synthesis of New AlPO4 Center dot H2O Crystal

A new crystal of aluminophosphate, AIPO(4)(.)H(2)O, is synthesized from two-batch aqueous solution under hydrothermal conditions. Three types of the crystal habits, i.e. the tetragonal double pyramid, the tetragonal prism and the plate-type tetragonal prism, are found from batch-A solution. Two types of the crystal habits, i.e. the hexagonal pyramid and the strip-type tetragonal prism, are found from batch-B solution. The change of crystal morphology is originated from the fluctuation of the synthesis conditions, such as the supersaturation, the temperature and the impurity content. It causes change of the step energies, the defect density and the step roughness, and further, change of the growth rates. Since the crystal morphology is sensitive to the mass transport mechanism, the crystal habits could be changed under the microgravity.

Optimization Of Off-Null Ellipsometry For Air/Solid Interfaces

The optimization of off-null ellipsometry is described with emphasis on the improvement of sample thickness sensitivity. Optimal conditions are dependent on azimuth angle settings of the polarizer, compensator, and analyzer in a polarizer-compensator-sample-analyzer ellipsometer arrangement. Numerical simulation utilized offers an approach to present the dependence of the sensitivity on the azimuth angle settings, from which optimal settings corresponding to the best sensitivity are derived. For a series of samples of SiO2 layer (thickness in the range of 1.8-6.5 nm) on silicon substrate, the theory analysis proves that sensitivity at the optimal settings is increased 20 times compared to that at null settings used in most works, and the relationship between intensity and thickness is simplified as a linear type instead of the original nonlinear type, with the relative error reduced to similar to 1/100 at the optimal settings. Furthermore the discussion has been extended toward other factors affecting the sensitivity of the practical system, such as the linear dynamic range of the detector, the signal-to-noise ratio and the intensity from the light source, etc. Experimental results from the investigation Of SiO2 layer on silicon substrate are chosen to verify the optimization. (c) 2007 Optical Society of America.

Preparation And Optical Properties Of Cdte/Cdo Center Dot Nh(2)O Core/Shell Nano-Composites In Aqueous Solution

The deposition of CdO center dot nH(2)O On CdTe nanoparticles was studied in an aqueous phase. The CdTe nanocrystals (NCs) were prepared in aqueous solution through the reaction between Cd2+ and NaHTe in the presence of thioglycolic acid as a stabilizer. The molar ratio of the Cd2+ to Te2- in the precursory solution played an important role in the photoluminescence of the ultimate CdTe NCs. The strongest photoluminescence was obtained under 4.0 of [Cd2+]/[Te2-] at pH similar to 8.2. With the optimum dosage of Cd(II) hydrous oxide deposited on the CdTe NCs, the photoluminescence was enhanced greatly. The photoluminescence of these nanocomposites was kept constant in the pH range of 8.0-10.0, but dramatically decreased with an obvious blue-shifted peak while the pH was below 8.0. In addition, the photochemical oxidation of CdTe NCs with cadmium hydrous oxide deposition was markedly inhibited.

Reconstructing The Vertical Distribution Of The Aeolian Saltation Mass Flux Based On The Probability Distribution Of Lift-Off Velocity

The probability distribution of lift-off velocity of the saltating grains is a bridge to linking microscopic and macroscopic research of aeolian sand transport. The lift-off parameters of saltating grains (i.e., the horizontal and vertical lift-off velocities, resultant lift-off velocity, and lift-off angle) in a wind tunnel are measured by using a Phase Doppler Particle Analyzer (PDPA). The experimental results show that the probability distribution of horizontal lift-off velocity of saltating particles on a bed surface is a normal function, and that of vertical lift-off velocity is an exponential function. The probability distribution of resultant lift-off velocity of saltating grains can be expressed as a log-normal function, and that of lift-off angle complies with an exponential function. A numerical model for the vertical distribution of aeolian mass flux based on the probability distribution of lift-off velocity is established. The simulation gives a sand mass flux distribution which is consistent with the field data of Namikas (Namikas, S.L., 2003. Field measurement and numerical modelling of acolian mass flux distributions on a sandy beach, Sedimentology 50, 303-326). Therefore, these findings are helpful to further understand the probability characteristics of lift-off grains in aeolian sand transport. (c) 2007 Elsevier B.V. All rights reserved.

Optimization of Off-Null Ellipsometry for Optical Biosensor Applications

The optimization of off-null ellipsometry is described with emphasis on the improvement of resolution for visualizing biomolecule layers. For optical biosensor with layer thickness below 6.5 nm, a numerical simulation for the dependence of resolution on the azimuth settings of polarizer and analyzer is presented first. For comparison, three different resolutions are given at three azimuth settings which are near null and far away from null condition, respectively. Furthermore, the square or linear approximation relationship between the intensity and the layer thickness are also given at these settings. The difference among their accuracy is up to 100 times or so. Experimental results of the biosensor sample verify the optimization.

Preparation and optical properties of CdTe/CdO center dot nH(2)O core/shell nano-composites in aqueous solution

The deposition of CdO center dot nH(2)O On CdTe nanoparticles was studied in an aqueous phase. The CdTe nanocrystals (NCs) were prepared in aqueous solution through the reaction between Cd2+ and NaHTe in the presence of thioglycolic acid as a stabilizer. The molar ratio of the Cd2+ to Te2- in the precursory solution played an important role in the photoluminescence of the ultimate CdTe NCs. The strongest photoluminescence was obtained under 4.0 of [Cd2+]/[Te2-] at pH similar to 8.2. With the optimum dosage of Cd(II) hydrous oxide deposited on the CdTe NCs, the photoluminescence was enhanced greatly. The photoluminescence of these nanocomposites was kept constant in the pH range of 8.0-10.0, but dramatically decreased with an obvious blue-shifted peak while the pH was below 8.0. In addition, the photochemical oxidation of CdTe NCs with cadmium hydrous oxide deposition was markedly inhibited.