Structure and optical properties of Nb2O5 sculptured thin films by glancing angle deposition

Nb2O5 sculptured thin. films deposited by electron beam evaporation with glancing angle deposition were prepared. Nb2O5 sculptured thin. films with tilted columns are optical anisotropy. XRD, SEM, UV-vis-NIR spectra are employed to characterize the microstructure and optical properties. The maximum of birefringence (Delta n) is up to 0.045 at alpha = 70 degrees with packing density of 0.487. With increasing the deposition angle, refractive index and packing density of Nb2O5 STF are decreasing. The relationship among deposition parameter, microstructure and optical properties was investigated in detail. (C) 2008 Elsevier B. V. All rights reserved.

Low temperature annealing effects on the structure and optical properties of ZnO films grown by pulsed laser deposition

ZnO thin films were deposited on glass substrates at room temperature (RT) similar to 500 degrees C by pulsed laser deposition (PLD) technique and then were annealed at 150-450 degrees C in air. The effects of annealing temperature on the microstructure and optical properties of the thin films deposited at each substrate temperature were investigated by XRD, SEM, transmittance spectra, and photoluminescence (PL). The results showed that the c-axis orientation of ZnO thin films was not destroyed by annealing treatments: the grain size increased and stress relaxed for the films deposited at 200-500 degrees C, and thin films densified for the films deposited at RT with increasing annealing temperature. The transmittance spectra indicated that E-g of thin films showed a decreased trend with annealing temperature. From the PL measurements, there was a general trend, that is UV emission enhanced with lower annealing temperature and disappeared at higher annealing temperature for the films deposited at 200-500 degrees C; no UV emission was observed for the films deposited at RT regardless of annealing treatment. Improvement of grain size and stoichiometric ratio with annealing temperature can be attributed to the enhancement of UV emission, but the adsorbed oxygen species on the surface and grain boundary of films are thought to contribute the annihilation of UV emission. It seems that annealing at lower temperature in air is an effective method to improve the UV emission for thin films deposited on glass substrate at substrate temperature above RT.

Electronic structure and optical properties of GaN with Mn-doping

Calculations of the electronic structure and the density of states of GaN with Mn are carried out by means of first-principles plane-wave pesudopotential method based on density functional theory. The results reveal a 100% spin polarized impurity band in band structure of Ga1-xMnxN due to hybridization of Mn 3d and N 2p orbitals. The material is half metallic and suited for spin injectors. In addition, a peak of refractive index can be observed near the energy gap. The absorption coefficient increases in the UV region with the increase of the Mn content.

A lattice dynamical treatment for the total potential energy of single-walled carbon nanotubes and its applications: relaxed equilibrium structure, elastic properties, and vibrational modes of ultra-narrow tubes

In this paper, we propose a lattice dynamic treatment for the total potential energy of single-walled carbon nanotubes (SWCNTs) which is, apart from a parameter for the nonlinear effects, extracted from the vibrational energy of the planar graphene sheet. The energetics, elasticity and lattice dynamics are treated in terms of the same set of force constants, independently of the tube structures. Based upon this proposal, we have investigated systematically the relaxed lattice configuration for narrow SWCNTs, the strain energy, the Young's modulus and Poisson ratio, and the lattice vibrational properties with respect to the relaxed equilibrium tubule structure. Our calculated results for various physical quantities are nicely in consistency with existing experimental measurements. In particular, we verified that the relaxation effect makes the bond length longer and the frequencies of various optical vibrational modes softer. Our calculation provides evidence that the Young's modulus of an armchair tube exceeds that of the planar graphene sheet, and that the large diameter limits of the Young's modulus and Poisson ratio are in agreement with the experimental values of graphite; the calculated radial breathing modes for ultra-narrow tubes with diameters ranging between 2 and 5 angstrom coincide with the experimental results and the existing ab initio calculations with satisfaction. For narrow tubes with a diameter of 20 angstrom, the calculated frequencies of optical modes in the tubule's tangential plane, as well as those of radial breathing modes, are also in good agreement with the experimental measurements. In addition, our calculation shows that various physical quantities of relaxed SWCNTs can actually be expanded in terms of the chiral angle defined for the corresponding ideal SWCNTs.

Structure and Electronic Properties of Saturated and Unsaturated Gallium Nitride Nanotubes

The atomic and electronic structures of saturated and unsaturated GaN nanotubes along the [001] direction with (100) lateral facets are studied using first-principles calculations. Atomic relaxation of nanotubes shows that appreciable distortion occurs in the unsaturated nanotubes. All the nanotubes considered, including saturated and unsaturated ones, exhibit semiconducting, with a direct band gap Surface states arisen from the 3-fold-coordinated N and Ga atoms at the lateral facets exist inside the bulklike band gap. When the nanotubes are saturated with hydrogen, these dangling bond bands are removed from the band gap, but the band gap decreases with increasing the wall thickness of the nanotubes.

Structure and magnetic properties of ScFe6Ga6-type RCo5Ga7 (R = Y, Tb, Dy, Ho and Er)

The structure and magnetic properties of the RCo5Ga7 (R = Y, Tb, Dy, Ho and Er) compounds with the ScFe6Ga6-type structure have been studied. The stability of RCo5Ga7 is closely related with the ratio of the metal radii R-RE/R-(Co,R-Ga). With R-RE/R-(Co,R-Ga) less than or equal to 1.36, the compounds can be stabilized in the ScFe6Ga6-type structure. The lattice of RCo5Ga7 shrinks as the atomic order of R increases, and it is consistent with the lanthanide contraction. The structure analysis based on X-ray diffraction patterns reveals that in the orthorhombic RCo5Ga7 (Immm), R occupies the 2a site, and Co enters into the 8k and the 4h sites, and Ga is at the 4e, 4f, 4g, 4h and 8k sites. The interatomic distances and the coordination numbers of RCo5Ga7 are provided from the refinement results. The short interatomic distance (less than 2.480 Angstrom) between the Co ions results in the negative magnetic interaction, which does not favor ferromagnetic ordering. The magnetic moment of YCo5Ga7 is absent, and RCo5Ga7 (R = Tb, Dy, Ho and Er) may have long-range magnetic ordering with the paramagnetic Curie temperature lower than 5 K. (C) 2004 Elsevier Inc. All rights reserved.

Effects of electric field on the electronic structure and optical properties of quantum rods with wurtzite structure

The Hamiltonian of wurtzite quantum rods with an ellipsoidal boundary under electric field is given after a coordinate transformation. The electronic structure and optical properties are studied in the framework of the effective-mass envelope-function theory. The quantum-confined Stark effect is illustrated by studying the change of the electronic structures under electric field. The transition probabilities between the electron and hole states decrease sharply with the increase of the electric field. The polarization factor increases with the increase of the electric field. Effects of the electric field and the shape of the rods on the exciton effect are also investigated. The exciton binding energy decreases with the increase of both the electric field and the aspect ratio. In the end, considering the exciton binding energy, we calculated the band gap variation of size- and shape-controlled colloidal CdSe quantum rods, which is in good agreement with experimental results.

Effects of seed dot layer and thin GaAs spacer layer on the structure and optical properties of upper In(Ga)As quantum dots

The structure and optical properties of In(Ga)As with the introduction of InGaAlAs or InAlAs seed dot layers are investigated. The area density and size homogeneity of the upper InGaAs dots are efficiently improved by the introduction of a buried layer of high-density dots. Our explanation for the realization of high density and size homogeneity dots is presented. When the GaAs spacer layer is too thin to cover the seed dots, the upper dots exhibit some optical properties like those of a quantum well. By analyzing the growth dynamics, we refer to this kind of dot as an empty-core dot. (C) 2003 American Institute of Physics.

Structure and optical properties of upper In(Ga)As quantum dots on a different seed layer with a thin GaAs spacer layer

The structure and optical properties of In(Ga)As grown with the introduction of InGaAlAs or InAlAs seed dots layers are investigated. The area density and size homogeneity of the upper InGaAs dots are efficiently improved with the introduction of a layer of high-density buried dots. When the GaAs spacer layer is too thin to cover the seed dots, the upper dots exhibit the characterization of a quantum well. By analyzing the growth dynamics, we refer to it as an empty-core structure dot. (C) 2002 Elsevier Science B.V. All rights reserved.

Electronic structure and optical properties of quantum rods with wurtzite structure

The Hamiltonian of the wurtzite quantum rods with an ellipsoidal boundary is given after a coordinate transformation. The energies, wave functions, and transition possibilities are obtained as functions of the aspect ratio e with the same method we used on spherical dots. With an overall consideration of both the transition matrix element and the Boltzmann distribution we explained why the polarization factor increases with increasing e and approaches a saturation value, which tallies quite well with the experimental result. When e increases more and more S-z states are mixed into the ground, second, and third states of J(z)=1/2, resulting in an increase of the emission of z polarization. It is just the linear terms of the momentum operator in the hole Hamiltonian that cause the mixing of S and P states in the hole ground state. The effects of the crystal field splitting energy, temperature, and transverse radius to the polarization are also considered. We also calculated the band gap variation with the size and shape of the quantum rods.

Electronic structure and transport properties of quantum rings in a magnetic field

The electronic structure of quantum rings is studied in the framework of the effective-mass theory and the two dimensional hard wall approximation. In cases of both the absence and presence of a magnetic field the electron momenta of confined states and the Coulomb energies of two electrons are given as functions of the angular momentum, inner radius, and magnetic-field strength. By comparing with experiments it is found that the width of the real confinement potential is 14 nm, much smaller than the phenomenal width. The Coulomb energy of two electrons is calculated as 11.1 meV. The quantum waveguide transport properties of Aharonov-Bohm (AB) rings are studied complementarily, and it is found that the correspondence of the positions of resonant peaks in AB rings and the momentum of confined states in closed rings is good for thin rings, representing a type of resonant tunneling.

Structure and optical properties of self-assembled InAs/GaAs quantum dots with In0.15Ga0.85As underlying layer

A high density of 1.02 x 10(11) cm(-2) of InAs islands with In(0.15)Gao(0.85)As underlying layer has been achieved on GaAs (10 0) substrate by solid source molecular beam epitaxy. Atomic force microscopy and PL spectra show the size evolution of InAs islands. A 1.3 mum photoluminescence (PL) from InAs islands with In(0.15)Gao(0.85)As underlying layer and InGaAs strain-reduced layer has been obtained. Our results provide important information for optimizing the epitaxial structures of 1.3 mum wavelength quantum dots devices. (C) 2002 Elsevier Science B.V. All rights reserved.