Electronic structure and exciton states in the freestanding ZnO nanorods

The electronic structure and exciton states of cylindrical ZnO nanorods with radius from 2 to 6 nm are investigated based on the framework of the effective-mass theory. Using the adiabatic approximation, the exciton binding energies taking account of the dielectric mismatch are solved exactly when the total angular momentum of the exciton states L = 0 and L = +/- 1. We find that the exciton binding energies can be enhanced greatly by the dielectric mismatch and the calculated results are almost consistent with the experimental data. Meanwhile, we obtain the optical transition rule when the small spin-obit splitting Delta(so) of ZnO is neglected. Furthermore, the radiative lifetime and linear optical susceptibilities chi(w) of the exciton states are calculated theoretically. The theoretical results are consistent with the experimental data very well. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3125456]

Ordered Zinc Antimonate Nanoisland Attachment and Morphology Control of ZnO Nanobelts by Sb Doping

Hierarchical heterostructures of zinc antimonate nanoislands on ZnO nanobelts were prepared by simple annealing of the polymeric precursor. Sb can promote the growth of ZnO nanobelts along the [552] direction because of the segregation of Sb dopants on the +(001) and (110) surfaces of ZnO nanobelts. Furthermore, the ordered nanoislands of toothlike ZnSb2O6 along the [001](ZnO) direction and rodlike Zn7Sb2O12 along the [110](ZnO) direction can be formed because of the match relation of the lattice and polar charges between ZnO and zinc antimonate. The incorporation of Sb in a ZnO lattice induces composition fluctuation, and the growth of zinc antimonate nanoislands on nanobelt sides induces interface fluctuation, resulting in dominance of the bound exciton transition in the room temperature near-band-edge (NBE) emission at relatively low excitation intensity. At high excitation intensity, however, Auger recombination makes photogenerated electrons release phonon and relax from the conduction band to the trap states, causing the NBE emission to gradually saturate and redshift with increasing excitation intensity. The green emission more reasonably originates from the recombination of electrons in shallow traps with doubly charged V-O** oxygen vacancies. Because a V-O** center can trap a photoactivated electron and change to a singly charged oxygen vacancy V-O* state, its emission intensity exhibits a maximum with increasing excitation intensity.

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.

Electronic structure and optical property of semiconductor nanocrystallites

Semiconductor nanostructures show many special physical properties associated with quantum confinement effects, and have many applications in the opto-electronic and microelectronic fields. However, it is difficult to calculate their electronic states by the ordinary plane wave or linear combination of atomic orbital methods. In this paper, we review some of our works in this field, including semiconductor clusters, self-assembled quantum dots, and diluted magnetic semiconductor quantum dots. In semiconductor clusters we introduce energy bands and effective-mass Hamiltonian of wurtzite structure semiconductors, electronic structures and optical properties of spherical clusters, ellipsoidal clusters, and nanowires. In self-assembled quantum dots we introduce electronic structures and transport properties of quantum rings and quantum dots, and resonant tunneling of 3-dimensional quantum dots. In diluted magnetic semiconductor quantum dots we introduce magnetic-optical properties, and magnetic field tuning of the effective g factor in a diluted magnetic semiconductor quantum dot. (C) 2004 Elsevier B.V. All rights reserved.

Structure and photoluminescence studies of Pr-implanted GaN

The structure and photoluminscence (PL) properties of Pr-implanted GaN thin films have been studied. RBS/channeling technique was used to explore the damage recovery at high annealing temperature and study the dependence of the radiation damage with ion implantation direction. A complete recovery of the ion implantation damage cannot be achieved at annealing temperatures up to 1050degreesC. It is found that the channeling implantation results in the decrease of the damage. The PL experimental results indicate that the PL efficiency increases exponentially with annealing temperature up to the maximum temperature of 1050degreesC. Moreover, the PL intensity is also seriously affected by ion implantation geometries. The PL intensity for the sample implanted along channeled direction is nearly 2 times more intense than that observed from the sample implanted along random direction. The thermal quenching of PL intensity from 10 to 300K for sample annealed at 1050degreesC is only 30%. (C) 2004 Elsevier B.V. All rights reserved.

The effect of a combined InAlAs and GaAs strained buffer layer on the structure and optical property of InAs quantum dots

The character of InAs quantum dots (QD) directly deposited on a combined InAlAs-GaAs (XML) strained buffer layer (SBL) has been investigated. This growth technique realizes high-density QD (5.88 x 10(10) cm(-2)) by changing the thickness of GaAs in InAlAs-GaAs SBL. The dependence of the density and the aspect ratio of QD on the GaAs thickness has been discussed in detail. The photoluminescence (PL) measurements demonstrate an obvious redshift with the increase of GaAs thickness. In addition, the deposition of InAs QDs grown on the combined InAlAs-GaAs SBL has an important effect of the QD properties. The ordered QD array can be observed from the sample deposited by atomic layer epitaxy, of which the PL peak shows an obvious redshift in comparison to the molecular beam epitaxy (MBE) QDs when the GaAs thicknesses are equal. (c) 2004 Elsevier B.V. All rights reserved.

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 buffer layers on the stress and morphology of GaN epilayer grown on Si substrate by MOCVD

Low temperature (LT) AlN interlayer and insertion of superlattice are two effective methods to reduce crack and defects for GaN grown on Si substrate. In this paper, the influence of two kinds of buffer on stress, morphology and defects of GaN/Si are studied and discussed. The results measured by optical microscope and Raman shift show that insertion of superlattice is more effective than insertion of LT-AlN in preventing the formation of cracks in GaN grown on Si substrate. Cross-sectional TEM images show that the not only screw but edge-type dislocation densities are greatly reduced by using the superlattice buffer. (c) 2006 Elsevier B.V. All rights reserved.

Electronic structure and binding energy of a hydrogenic impurity in a hierarchically self-assembled GaAs/AlxGa1-xAs quantum dot

We calculate the electronic structures and binding energy of a hydrogenic impurity in a hierarchically self-assembled GaAs/AlxGa1-xAs quantum dot (QD) in the framework of effective-mass envelope-function theory. The variation of the electronic structures and binding energy with the QD structure parameters and the position of the impurity are studied in detail. We find that (1) acceptor impurity energy levels depend more sensitively on the size of the QD than those of a donor impurity; (2) all impurity energy levels strongly depend on the GaAs quantum well (QW) width; (3) a donor impurity in the QD has only one binding energy level except when the GaAs QW is large; (4) an acceptor impurity in the QD has two binding energy levels, which correspond to heavy- and light-hole quantum states; (5) the binding energy has a maximum value when the impurity is located below the symmetry axis along the growth direction; and (6) the binding energy has a minimum value when the impurity is located at the top corner of the QD. (c) 2006 American Institute of Physics.

Electronic structure and g factors of CdTe quantum ellipsoids

The electronic structure, electron and hole g factors and optical properties of CdTe quantum ellipsoids are investigated, in the framework of eight-band effective-mass approximation. It is found that the light-hole states come down in comparison with the heavy-hole states when the spheres are elongated, and become the lowest states of valence band. When the aspect ratio of the ellipsoid length to diameter (e) changes from smaller than 1 to larger than 1, the linear polarization factors change from negative to positive. The electron g factors of CdTe spheres decrease with increasing radius, and are nearly 2 when the radius is very small. Actually, as some of the three dimensions increase, the electron g factors decrease. More dimensions increase, the g factors decrease. more. The dimensions perpendicular to the direction of the magnetic field affect the g factors more than the other dimension. The light-hole and heavy-hole g factors of quantum spheres are equal, and change from 0.88 to -1.14 with increasing radius. When e < 1 (e > 1) the light-hole g factor is smaller (larger) than the heavy-hole g factor. (c) 2006 Elsevier B.V. All rights reserved.

Structure and visible luminescence of ZnO nanoparticles

ZnO nanoparticles were synthesized in ethanolic solution using a sol-gel method. The structural and optical properties were investigated by X-ray diffraction, transmission electron microscopy, UV absorption, and photoluminescence. After annealing at 200 degrees C, the particle size is increased and the peak of defect luminescence in the visible region is changed. A yellow emission was observed in the as-prepared sample and a green emission in the annealed sample. The change of the visible emission is related to oxygen defects. Annealing in the absence of oxygen would increase oxygen vacancies. (c) 2006 Elsevier Ltd. All rights reserved.

Preparation and AFM characterization of self-ordered porous alumina films on semi-insulated gaas substrate

Self-ordered porous alumina films on a semi-insulated GaAs substrate were prepared in oxalic acid aqueous solutions by three-step anodization. The I-t curve of anodization process was recorded to observe time effects of anodization. Atomic force microscopy was used to investigate structure and morphology of alumina films. It was revealed that the case of oxalic acid resulted in a self-ordered porous structure, with the pore diameters of 60-70 nm, the pore density of the order of about 10(10) pore cm(-2), and interpore distances of 95-100nm. At the same time the pore size and shape change with the pore widening time. Field-enhanced dissolution model and theory of deformation relaxation combined were brought forward to be the cause of self-ordered pore structure according to I-t curve of anodization and structure characteristics of porous alumina films. (c) 2006 Elsevier Ltd. All rights reserved.

Electronic structure and g factors of narrow-gap zinc-blende nanowires and nanorods

The Hamiltonian in the framework of eight-band effective-mass approximation of the zinc-blende nanowires and nanorods in the presence of external homogeneous magnetic field is given in the cylindrical coordinate. The electronic structure, optical properties, magnetic energy levels, and g factors of the nanowires and nanorods are calculated. It is found that the electron states consist of many hole-state components, due to the coupling of the conduction band and valence band. For the normal bands which are monotone functions of |k(z)|, long nanorods can be modeled by the nanowires, the energy levels of the nanorods approximately equal the values of the energy band E(k(z)) of the nanowires with the same radius at a special k(z), where k(z) is the wave vector in the wire direction. Due to the coupling of the states, some of the hole energy bands of the nanowires have their highest points at k(z)=0. Especially, the highest hole state of the InSb nanowires is not at the k(z)=0 point. It is an indirect band gap. For these abnormal bands, nanorods can not be modeled by the nanowires. The energy levels of the nanorods show an interesting plait-like pattern. The linear polarization factor is zero, when the aspect ratio L/2R is smaller than 1, and increases as the length increases. The g(z) and g(x) factors as functions of the k(z), radius R and length L are calculated for the wires and rods, respectively. For the wires, the g(z) of the electron ground state increases, and the g(z) of the hole ground state decreases first, then increases with the k(z) increasing. For the rods, the g(z) and g(x) of the electron ground state decrease as the R or the L increases. The g(x) of the hole ground state decreases, the g(z) of the hole ground state increases with the L increasing. The variation of the g(z) of the wires with the k(z) is in agreement with the variation of the g(z) of the rods with the L.

Electronic structure and electron g factors of HgTe quantum dots

The electronic structure and electron g factors of HgTe quantum dots are investigated, in the framework of the eight-band effective-mass approximation. It is found that the electron states of quantum spheres have aspheric properties due to the interaction between the conduction band and valence band. The highest hole states are S (l = 0) states, when the radius is smaller than 9.4 nm. the same as the lowest electron states. Thus strong luminescence from H-Te quantum dots with radius smaller than 9.4 nm has been observed (Rogach et al 2001 Phys. Statits Solidi b 224 153). The bandgap of H-Te quantum spheres is calculated and compared with earlier experimental results (Harrison et al 2000 Pure Appl. Chem. 72 295). Due to the quantum confinement effect, the bandgap of the small HgTe quantum spheres is positive. The electron g factors of HgTe quantum spheres decrease with increasing radius and are nearly 2 when the radius is very small. The electron g factors of HgTe quantum ellipsoids are also investigated. We found that as some of the three dimensions increase, the electron g factors decrease. The more the dimensions increase, the more the g factors decrease. The dimensions perpendicular to the direction of the magnetic field affect the g factors more than the other dimension.

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.