979 resultados para protein structure and folding


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The electronic band structures and optical gains of InAs1-xNx/GaAs pyramid quantum dots (QDs) are calculated using the ten-band k . p model and the valence force field method. The optical gains are calculated using the zero-dimensional optical gain formula with taking into consideration of both homogeneous and inhomogeneous broadenings due to the size fluctuation of quantum dots which follows a normal distribution. With the variation of QD sizes and nitrogen composition, it can be shown that the nitrogen composition and the strains can significantly affect the energy levels especially the conduction band which has repulsion interaction with nitrogen resonant state due to the band anticrossing interaction. It facilitates to achieve emission of longer wavelength (1.33 or 1.55 mu m) lasers for optical fiber communication system. For QD with higher nitrogen composition, it has longer emission wavelength and less detrimental effect of higher excited state transition, but nitrogen composition can affect the maximum gain depending on the factors of transition matrix element and the Fermi-Dirac distributions for electrons in the conduction bands and holes in the valence bands respectively. For larger QD, its maximum optical gain is greater at lower carrier density, but it is slowly surpassed by smaller QD as carrier concentration increases. Larger QD can reach its saturation gain faster, but this saturation gain is smaller than that of smaller QD. So the trade-off between longer wavelength, maximum optical, saturation gain, and differential gain must be considered to select the appropriate QD size according to the specific application requirement. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3143025]

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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]

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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Based on the band-anticrossing model, the effect of the strain-compensated layer and the strain-mediated layer on the band structure, the gain, and the differential gain of GaInNAs-GaAs quantum well lasers have been investigated. Different band-filling mechanisms have been illustrated. Compared to the GaInNAs-GaAs single quantum well with the same wavelength,, the introduction. (if the strain-compensated layer and the strain-mediated layer increases the transparency carrier density. However, these multilayer structures help to suppress the degradation of the differential gain.

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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.