Reduced Density Matrix Functional for Many-Electron Systems

Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this produces more accurate results for both finite systems. Moreover, it captures the correct band gap behavior for conventional semiconductors as well as strongly correlated Mott insulators, where a gap is obtained in absence of any magnetic ordering.Comment: 4 figs and 1 tabl

Decoherence of tripartite states - a trapped ion coupled to an optical cavity

We investigate the non-dissipative decoherence of three qubit system obtained by manipulating the state of a trapped two-level ion coupled to an optical cavity. Modelling the environment as a set of noninteracting harmonic oscillators, analytical expressions for the state operator of tripartite composite system, the probability of generating maximally entangled GHZ state, and the population inversion have been obtained. The pointer observable is the energy of the isolated quantum system. Coupling to environment results in exponential decay of off diagonal matrix elements of the state operator with time as well as a phase decoherence of the component states. Numerical calculations to examine the time evolution of GHZ state generation probability and population inversion for different system environment coupling strengths are performed. Using negativity as an entanglement measure and linear entropy as a measure of mixedness, the entanglement dynamics of the tripartite system in the presence of decoherence is analysed.Comment: Revised version, errors corrected and references added. 12 pages, 6 figures, Presented at ICSSUR May 2005, Besancon, Franc

High-growth-rate magnetohydrodynamic instability in differentially rotating compressible flow

The transport of angular momentum in the outward direction is the fundamental requirement for accretion to proceed in an accretion disc. This objective can be achieved if the accretion flow is turbulent. Instabilities are one of the sources for the turbulence. We study a differentially rotating compressive flow in the presence of non vanishing radial and azimuthal magnetic field and demonstrate the occurrence of a high growth rate instability. This instability operates in a region where magnetic energy density exceeds the rotational energy density

Research strategy for the improvement of land and water resources of the semi-arid tropics of North-East Brazil.

Climate; Soils; Socio-economic conditions.bitstream/item/68342/1/Porto.pdfNão publicado

Thermoelectric Amplification of Phonons in Graphene

Amplification of acoustic phonons due to an external temperature gredient ($\nabla T$) in Graphene was studied theoretically. The threshold temperature gradient $(\nabla T)_0^{g}$ at which absorption switches over to amplification in Graphene was evaluated at various frequencies $\omega_q$ and temperatures $T$. For $T = 77K$ and frequency $\omega_q = 12THz$, $(\nabla T)_0^{g} = 0.37Km^{-1}$. The calculation was done in the regime at $ql >> 1$. The dependence of the normalized ($\Gamma/\Gamma_0$) on the frequency $\omega_q$ and the temperature gradient $(\nabla T/T)$ are evaluated numerically and presented graphically. The calculated $(\nabla T)_0^{g}$ for Graphene is lower than that obtained for homogeneous semiconductors ($n-InSb$) $(\nabla T)_0^{hom} \approx 10^3Kcm^{-1}$, Superlattices $(\nabla T)_0^{SL} = 384Kcm^{-1}$, Cylindrical Quantum Wire $(\nabla T)_0^{cqw} \approx 10^2Kcm^{-1}$. This makes Graphene a much better material for thermoelectric phonon amplifier.Comment: 12 Pages, 6 figure

A complete description of the magnetic ground state in spinel vanadates

Capturing the non-collinear magnetic ground state of the spinel vanadates AV$_2$O$_4$ (A= Mn, Fe and Co) remains an outstanding challenge for state-of-the-art ab-initio methods. We demonstrate that both the non-collinear spin texture, as well as the magnitude of local moments, are captured by a single value of the on-site Hubbard $U$ of 2.7~eV in conjunction with the local spin density approximation (LSDA+$U$), provided the source term (i.e., magnetic monopole term) is removed from the exchange-correlation magnetic field ${\bf B}_{XC}$. We further demonstrate that the magnetic monopole structure in ${\bf B}_{XC}$ is highly sensitive to the value of $U$, to the extent that the interplay between on-site localization and local moment magnitude is qualitatively different depending on whether the source term is removed or not. This suggests that in treating strongly correlated magnetic materials within the LSDA+$U$ formalism, subtraction of the unphysical magnetic monopole term from the exchange-correlation magnetic field is essential to correctly treat the magnetic ground state.Comment: 4 pages, 3 figure