243 resultados para electronic band structure


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The spin-reorientation phenomenon in Nd2Fe14B has been investigated using an angular dependent free energy approach. A magnetic Hamiltonian which includes the crystal electric field term and the exchange term has been established using realistic band structure results. The temperature dependence of the molecular field is accounted for by introducing the Brillouin function and the magnetic Hamiltonian is diagonalized within the ground state multiplet of the Nd ion. The eigenstates are then used to form the partition function for the free energy. At each temperature, the direction of the molecular field is obtained by searching for the minimum in the angular parameter space of the free energy. Our calculations show that for Nd2Fe14B, the net magnetic anisotropy direction is canted away from the c axis at a temperature close to the experimentally reported spin-reorientation temperature of 150 K. The temperature dependence of the magnetic structure is found to be very sensitive to the size of the second order crystal field parameter B20.

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The linear character of the polarization of the luminescence in porous Si is studied experimentally, and the corresponding luminescence characteristics in quantum wires are studied theoretically using a quantum cylindrical model in the framework of the effective-mass theory. From the experimental and theoretical results it is concluded that there is a stronger linear polarization parallel to the wire direction than there is perpendicular to the wire, and that it is connected with the valence band structure in quantum confinement in two directions. The theoretical photoluminescence spectra of the parallel and perpendicular polarization directions, and the degree of polarization as functions of the radius of the wire and the temperature are obtained for In0.53Ga0.47As quantum wires and porous silicon. From the theory, we demonstrated that the degree of polarization decreases with increasing temperature and radius, and that this effect is more apparent for porous Si. The theoretical results are in good agreement with the experimental results for the InGaAs quantum wires, and in qualitative agreement with those for the porous silicon.

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The exciton states in isolated and semi-isolated quantum wires are studied. It is found that the image charges have a large effect on the effective Coulomb potential in wires. For the isolated wire the effective potential approaches the Coulomb potential in vacuum at large z distance. For the semi-isolated wire the effective potential is intermediate between the Coulomb potential in vacuum and the screened Coulomb potential at large distance. The exciton binding energy in the isolated wire is about ten times larger than that in the quantum well, and that in the semi-isolated wire is also intermediate between those in the isolated wire and in the quantum well. When the lateral width increases the binding energy decreases further, and approaches that in the quantum well. The real valence-band structure is taken into account, the exciton wave functions of the ground state in the zero-order approximation are given, and the reduced mass is calculated. The effect of the coupling between the ground and excited states are considered by the degenerate perturbation method, and it is found the coupling effect is small compared to the binding energy.

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Photoluminescence studies on porous silicon show that there are luminescence centers present in the surface states. By taking photoluminescence spectra of porous silicon with respect to temperature, a distinct peak can be observed in the temperature range 100-150 K. Both linear and nonlinear relationships were observed between excitation laser power and the photoluminescence intensity within this temperature range. In addition, there was a tendency for the photoluminescence peak to red shift at low temperature as well as at low excitation power. This is interpreted as indicating that the lower energy transition becomes dominant at low temperature and excitation power. The presence of these luminescence centers can be explained in terms of porous silicon as a mixture of silicon clusters and wires in which quantum confinement along with surface passivation would cause a mixing of Gamma and X band structure between the surface states and the bulk. This mixing would allow the formation of luminescence centers.

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The theoretical optimization of tensile strained InGaAsP/InGaAsP MQW for 1.5μm window polarization-independent semiconductor optical amplifier is reported. The valence-band structure of the MQw is calculated by using K·P method, in which 6×6 Luttinger effective-mass Hamiltonian is taken into account. LThe polarization dependent optical gain is calculated with various well width, strain, and carrier density.

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The band structure of 2D photonic crystals (PCs) and localized states resulting from defects are analyzed by finite-difference time-domain (FDTD) technique and Pade approximation. The effect of dielectric constant contrast and filling factor on photonic bandgap (PBG) for perfect PCs and localized states in PCs with point defects are investigated. The resonant frequencies and quality factors are calculated for PCs with different defects. The numerical results show that it is possible to modulate the location, width and number of PBGs and frequencies of the localized states only by changing the dielectric constant contrast and filling factor.

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The structural and optical properties of GaAsSb/GaAs-based quantum wells (QWs) are investigated. The interface quality of GaAsSb/GaAs/GaAsP coupled double (CD) QW structures is improved due to the strain compensation of epitaxial layers. The CD QWs possess a W-shape of energy band structure, and the optical properties display the features characteristic of a type-IQW when the GaAsSb layer thickness is thin enough.

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Inspired by the recent experimental data [J.-G. Wang, et al., Phys. Lett. B 675 (2009) 420], we extend the triaxial projected shell model approach to study the gamma-band structure in odd-mass nuclei. As a first application of the new development, the gamma-vibrational structure of Nb-103 is investigated. It is demonstrated that the model describes the ground-state band and multi-phonon gamma-vibrations quite satisfactorily, supporting the interpretation of the data as one of the few experimentally-known examples of simultaneous occurrence of one- and two-gamma-phonon vibrational bands. This generalizes the well-known concept of the surface gamma-oscillation in deformed nuclei built on the ground-state in even-even systems to gamma-bands based on quasiparticle configurations in odd-mass systems. (c) 2010 Elsevier BM. All rights reserved.

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Efforts have been made in our group to study the band structure of odd-odd nuclei in the A similar to 170 mass region. We aimed at providing new data of high-spin states and searching for the low-spin signature inversion in the 2-qp bands built on the pi h(9/2) circle times nu i(13/2) and pi i(13/2)circle times nu i(13/2) configurations. In this talk, main results of our work will be summarized, and some systematic features of signature inversion discussed. The spin and parity assignments for the pi i(13/2) circle times nu i(13/2) band in (184)An could be regarded as firm providing a good example for systematic and theoretical investigations.

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Motivated by recent spectroscopy data from fission experiments, we apply the projected shell model to study systematically the structure of strongly deformed, neutron-rich, even-even Nd and Sm isotopes with neutron number from 94 to 100. We perform calculations for rotational bands up to spin I = 20 and analyze the band structure of low-lying states with quasiparticle excitations, with emphasis given to rotational bands based on various negative-parity two-quasiparticle (2-qp) isomers. Experimentally known isomers in these isotopes are described well. The calculations further predict proton 2-qp bands based on a 5(-) and a 7(-) isomer and neutron 2-qp bands based on a 4(-) and an 8(-) isomer. The properties for the yrast line are discussed, and quantities to test the predictions are suggested for future experiment.

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Reversibly strain-tunable polymeric photonic crystals made of thermoplastic polyester elastomer (TPEE) were fabricated by using the self-assembled silica opals as templates. The stop band of the polymeric photonic crystal locates at the near infrared (IR) regime in its transmission spectrum, and exhibits a blue shift with the increase of the incident angle. Because of the elasticity of the TPEE, the stop band of the TPEE photonic crystal can also be reversibly tuned at ambient temperature through to and fro uniaxially or biaxially stretching and recovering by changing the lattice spacing and the symmetry of the crystal along (1 1 1) plane.

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Nanocrystals of SrAl2O4:Eu2+ have been prepared by combustion synthesis. The results of XRD indicated that the resulting SrAl2O4:Eu2+ nanocrystals have a reduced and distorted monoclinic lattice compared with bulk materials. Both the excitation and emission spectra of SrAl2O4:Eu2+ nanocrystals shifts to higher energies in contrast to the bulk materials. The band structure calculation is performed using first-principles full potential-linearized augmented plane wave method within density functional theory. The calculated results are in reasonable agreement with our experimental results.

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Vacuum ultraviolet excitation spectra of LnAl(3)B(4)O(12):Re (Ln = Y, Gd; Re = Eu, To), along with X-ray photoelectron spectra, were measured. The spectra are tentatively interpreted in terms of the optical properties of the rare earth ions and the band structure. It was found that there is an energy transfer from the hosts to the rare earth ions. It was also found that the top of the valence band in the Gd compound is mainly formed by the 2p levels of O2- and the 4f levels of Gd3+, and in the Y compound mainly by the 2p levels of O2-. (C) 2000 Elsevier Science Ltd. All rights reserved.

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The infrared spectra of BaLnB(9)O(16):Re, along with the VUV excitation spectra, have been measured. The spectra were tentatively interpreted in terms of the data on absorptions of the borate groups and band structure. It was observed that there are absorption due to BO3 and BO4 groups, indicating that there are BO3 and BO4 groups in BaLnB(9)O(16). It is found that absorption of the borate groups is located in the range from 120 to 170 mn. This result reveals that there is an energy transfer from host to the rare earth ions. It also observed that the energy of charge transfer band, the host absorption, the total crystal field splitting of d-levels of Tb3+ increase with the decrease in the Ln(3+) radius. (C) 2001 Elsevier Science B.V. All rights reserved.

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The isothermal crystallization process of a PCL/SAN blend (90/10 wt.-%) was investigated by using real time image analysis and hot stage optical microscopy. It was found that the growth rate of ring-banded spherulites in the isothermal crystallization process is not constant. Slow growth occurs in the bright bands, while fast growth is found in the dark bands. The radially unequal growth rate of ring-banded spherulites in PCL/SAN blends may be related to the convex band structure on the surface. This new discovery gives us the idea that rhythmic growth is effective in the growth process of ring banded spherulites.