982 resultados para Singularidade de van Hove


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The effect of including a van Hove singularity in the density of state of a renormalized BCS equation in s and d waves and its appropriateness in describing some properties of high-Tc cuprates in the weak-coupling region are studied in two space dimensions. The specific heat and knight shift as a function of temperature exhibit scaling below the critical temperature in d wave. We also study the jump in the specific heat at the critical temperature Tc in s and d waves, which can have values significantly higher than the standard BCS values and which increases with Tc, as experimentally observed in many d-wave high-Tc materials. The experimental results on the specific heat and knight shift of the Y-123 system are compared with the theoretical predictions.

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Neste trabalho estudamos modelos teóricos que descrevem sistemas eletrônicos fortemente correlacionados, em especial o modelo t-J, e suas aplicações a compostos de óxidos de cobre, notadamente os compostos que apresentam supercondutividade de alta temperatura crítica e o composto Sr2CuO2Cl2. No primeiro capítulo do trabalho, fazemos uma exposição de três modelos que envolvem o tratamento das interações elétron-elétron, que são os modelos de Hubbard de uma banda, o modelo de Heisenberg e o modelo t-J. Na dedução deste último fazemos uma expansão canônica do hamiltoniano de Hubbard, no limite de acoplamento forte, levando-nos a obter um novo hamiltoniano que pode ser utilizado para descrever um sistema antiferromagnético bidimensional na presen- ça de lacunas, que é exatamente o que caracteriza os compostos supercondutores de alta temperatura crítica na sua fase de baixa dopagem.Após termos obtido o hamiltoniano que descreve o modelo t-J, aplicamos à este uma descrição de polarons de spin, numa representação de holons, que são férmions sem spin, e spinons, que são bósons que carregam somente os graus de liberdade de spin. Utilizando uma função de Green para descrever a propagação do polaron pela rede, obtemos uma equação para a sua autoenergia somando uma série de diagramas de Feynman, sendo que para este cálculo utilizamos a aproxima ção de Born autoconsistente[1]. Do ponto de vista numérico demonstramos que a equação integral de Dyson resultante do tratamento anterior não requer um procedimento iterativo para sua solução, e com isto conseguimos trabalhar com sistemas com grande número de partículas. Os resultados mostram, como um aspecto novo, que o tempo de vida média do holon tem um valor bastante grande no ponto (π,0 ) da rede recíproca, perto da singularidade de Van Hove mencionada na literatura[2]. Este aspecto, e suas implicações, é amplamente discutido neste capítulo. No capítulo 3 estudamos o modelo estendido t-t'-J, com tunelamento à segundos vizinhos e a incorporação dos termos de três sítios[3]. Fazemos a mesma formulação do capítulo anterior, e discutimos as aplicações dos nossos resultados ao óxido mencionado anteriormente. Finalmente, no último capítulo apresentamos uma aplicação original do modelo t-J à uma rede retangular, levemente distorcida, e demonstramos que os resultados do capítulo 3 são reproduzidos sem necessidade de introduzir termos de tunelamento adicionais no hamiltoniano. Esta aplicação pode se tornar relevante para o estudo das fases de tiras encontradas recentemente nesses materiais de óxidos de cobre.

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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The structure and dynamics of silver ion conducting AgI-Ag2MoO4 glasses have been simulated by molecular dynamics simulation over a wide range of compositions. Formation of silver iodide like aggregates have been identified only in the AgI rich glasses. Increase in silver ion conductivity with an increase in AgI content in the glass is seen as in experiments. The dynamics of ion transport suggests that Ag+ ion transport occurs largely through paths connected by silver ion sites of mixed iodide-oxide coordination. The Van Hove correlation functions indicate that Ag+ ions prefer migration along the pathways formed with connected sites of similar coordination.

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Single-wall carbon nanotubes (SWNTs) are fascinating systems exhibiting many novel physical properties. In this paper, we give a brief review of the structural, electronic, vibrational, and mechanical properties of carbon nanotubes. In situ resonance Raman scattering of SWNTs investigated under electrochemical biasing demonstrates that the intensity of the radial breathing mode varies significantly in a nonmonotonic manner as a function of the cathodic bias voltage, but does not change appreciably under anodic bias. These results can be quantitatively understood in terms of the changes in the energy gaps between the 1 D van Hove singularities in the electron density of states, arising possibly due to the alterations in the overlap integral of pi bonds between the p-orbitals of the adjacent carbon atoms. In the second part of this paper, we review our high-pressure X-ray diffraction results, which show that the triangular lattice of the carbon nanotube bundles continues to persist up to similar to10 GPa. The lattice is seen to relax just before the phase transformation, which is observed at similar to10 GPa. Further, our results display the reversibility of the 2D lattice symmetry even after compression up to 13 GPa well beyond the 5 GPa value observed recently. These experimental results explicitly validate the predicted remarkable mechanical resilience of the nanotubes.

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We present a simplified theoretical formulation of the Fowler-Nordheim field emission (FNFE) under magnetic quantization and also in quantum wires of optoelectronic materials on the basis of a newly formulated electron dispersion law in the presence of strong electric field within the framework of k.p formalism taking InAs, InSb, GaAs, Hg(1-x)Cd(x)Te and In(1-x)Ga(x) As(y)P(1-y) lattice matched to InP as examples. The FNFE exhibits oscillations with inverse quantizing magnetic field and electron concentration due to SdH effect and increases with increasing electric field. For quantum wires the FNFE increases with increasing film thickness due to the existence van-Hove singularity and the magnitude of the quantum jumps are not of same height indicating the signature of the band structure of the material concerned. The appearance of the humps of the respective curves is due to the redistribution of the electrons among the quantized energy levels when the quantum numbers corresponding to the highest occupied level changes from one fixed value to the others. Although the field current varies in various manners with all the variables in all the limiting cases as evident from all the curves, the rates of variations are totally band-structure dependent. Under certain limiting conditions, all the results as derived in this paper get transformed in to well known Fowler-Nordheim formula. (C) 2011 Elsevier Ltd. All rights reserved.

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We address a physically based analytical model of quantum capacitance (C-Q) in a bilayer graphene nanoribbon (BGN) under the application of an external longitudinal static bias. We demonstrate that as the gap (Delta) about the Dirac point increases, a phenomenological population inversion of the carriers in the two sets of subbands occurs. This results in a periodic and composite oscillatory behavior in the C-Q with the channel potential, which also decreases with increase in Delta. We also study the quantum size effects on the C-Q, which signatures heavy spatial oscillations due to the occurrence of van Hove singularities in the total density-of-states function of both the sets of subbands. All the mathematical results as derived in this paper converge to the corresponding well-known solution of graphene under certain limiting conditions and this compatibility is an indirect test of our theoretical formalism. (C) 2012 Elsevier By. All rights reserved.

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In this paper, we study the Fowler-Nordheim field emission (FNFE) from carbon nanotubes on the basis of a newly formulated electron dispersion law by considering the fact that the intense electric field needed for FNFE changes the band structure in a fundamental way. It has been found that the field emitted current increases with increasing electric field in oscillatory manner due to the appearance of van Hove singularities and exhibits spikes for particular values of the electric field where the singularity occurs. The numerical values of the field emitted current in all the cases vary widely and the determined by the chiral indices and the diameter in the respective cases. The results of this paper find three applications in the fields of nanoscience and technology.

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We present computer simulation study of two-dimensional infrared spectroscopy (2D-IR) of water confined in reverse micelles (RMs) of various sizes. The present study is motivated by the need to understand the altered dynamics of confined water by performing layerwise decomposition of water, with an aim to quantify the relative contributions of different layers water molecules to the calculated 2D-IR spectrum. The 0-1 transition spectra clearly show substantial elongation, due to in-homogeneous broadening and incomplete spectral diffusion, along the diagonal in the surface water layer of different sized RMs. Fitting of the frequency fluctuation correlation functions reveal that the motion of the surface water molecules is sub-diffusive and indicate the constrained nature of their dynamics. This is further supported by two peak nature of the angular analogue of van Hove correlation function. With increasing system size, the water molecules become more diffusive in nature and spectral diffusion almost completes in the central layer of the larger size RMs. Comparisons between experiments and simulations establish the correspondence between the spectral decomposition available in experiments with the spatial decomposition available in simulations. Simulations also allow a quantitative exploration of the relative role of water, sodium ions, and sulfonate head groups in vibrational dephasing. Interestingly, the negative cross correlation between force on oxygen and hydrogen of O-H bond in bulk water significantly decreases in the surface layer of each RM. This negative cross correlation gradually increases in the central water pool with increasing RMs size and this is found to be partly responsible for the faster relaxation rate of water in the central pool. (C) 2013 AIP Publishing LLC.

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Towards ultrafast optoelectronic applications of single and a few layer reduced graphene oxide (RGO), we study time domain terahertz spectroscopy and optical pump induced changes in terahertz conductivity of self-supported RGO membrane in the spectral window of 0.5-3.5 THz. The real and imaginary parts of conductivity spectra clearly reveal low frequency resonances, attributed to the energy gaps due to the van Hove singularities in the density of states flanking the Dirac points arising due to the relative rotation of the graphene layers. Further, optical pump induced terahertz conductivity is positive, pointing to the dominance of intraband scattering processes. The relaxation dynamics of the photo-excited carriers consists of three cooling pathways: the faster (similar to 450 fs) one due to optical phonon emission followed by disorder mediated large momentum and large energy acoustic phonon emission with a time constant of a few ps (called the super-collision mechanism) and a very large time (similar to 100 ps) arising from the deep trap states. The frequency dependence of the dynamic conductivity at different delay times is analyzed in term of Drude-Smith model. (C) 2014 Published by Elsevier Ltd.

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The common belief that fermions lying on linear Regge trajectories must have opposite-parity partners is shown to be false. The mechanism by which these experimentally nonexistant states are eliminated from the theory depends on the presence of fixed Regge cuts in fermion exchange amplitudes. Thus it is predicted that fermion Regge trajectories are always accompanied by fixed Regge cuts. More generally, if particles may be classified as composites of spin-1/2 (fermion) quarks, fixed cuts are expected to be present in boson exchange amplitudes as well. This result is demonstrated in the framework of the Van Hove model and a few further experimental consequences are discussed.

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In Part I, the common belief that fermions lying on linear trajectories must have opposite-parity partners is shown to be false. Reggeization of a sequence of positive-parity fermion resonance is carried out in the Van Hove model. As a consequence of the absence of negative-parity states, the partial-wave amplitudes must have a fixed cut in the J plane. This fixed cut, in conjunction with the moving Regge pole, provides a new parametrization for fermion-exchange reactions, which is in qualitative agreement with the data.

In Part II, the spin structure of three particle vertices is determined from the quark model. Using these SU(6)W vertices in the Van Hove model, we derive a Reggeized scattering amplitude. In addition to Regge poles there are necessarily fixed Regge cuts in both fermion and boson exchange amplitudes. These fixed cuts are similar to those found in Part I, and may be viewed as a consequence of the absence of parity doubled quarks. The magnitudes of the pole and cut terms in an entire class of SU(6) related reactions are determined by their magnitudes in a single reaction. As an example we explain the observed presence or absence of wrong-signature nonsense dips in a class of reactions involving vector meson exchange.

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Several countries in Asia practice integrated rice-duck farming. On-farm resources such as duck manure and feed waste are not adequately used and recycled in the system. This indicates the potential for research to increase the productivity of the rice-duck system. The integration of fish and the nitrogen-fixing aquatic fern azolla show promise for increasing the production potential of the system. Fish, azolla and ducks integrated with rice farming can result in nutrient enhancement, pest control, feed supplementation and biological control. Some of the results of a case study on integrated rice-fish-azolla-duck farming systems conducted in the Philippines are presented in this paper.

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Four well-resolved peaks with very narrow linewidths were found in the D-band and G'-band features of double-walled carbon nanotubes (DWNTs). This fact implies the occurrence of additional van Hove singularities (vHSs) in the joint density of states (JDOS) of DWNTs, which is consistent with theoretical calculations. According to their peak frequencies and theoretical analysis, the two outer peaks can be deduced to originate from a strong coupling between the two constituent tubes of commensurate DWNTs and the two inner peaks were curvature-related and assigned to originate from the two tubes with a weak coupling. This observation and elucidation constitute the first Raman evidence for atomic correlation and the resulting electronic structure change of the two constituent tubes in DWNTs. This result opens the possibility of predicting and modifying the electronic properties of DWNTs for their electronic applications.