Combined first-principles and model Hamiltonian study of the perovskite series RMnO3 (R = La, Pr, Nd, Sm, Eu and Gd)

We merge advanced ab initio schemes (standard density functional theory, hybrid functionals and the GW approximation) with model Hamiltonian approaches (tight-binding and Heisenberg Hamiltonian) to study the evolution of the electronic, magnetic and dielectric properties of the manganite family RMnO3 (R = La, Pr, Nd, Sm, Eu and Gd). The link between first principles and tight-binding is established by downfolding the physically relevant subset of 3d bands with e_g character by means of maximally localized Wannier functions (MLWFs) using the VASP2WANNIER90 interface. The MLWFs are then used to construct a tight-binding Hamiltonian. The dispersion of the TB e_g bands at all levels are found to match closely the MLWFs. We provide a complete set of TB parameters which can serve as guidance for the interpretation of future studies based on many-body Hamiltonian approaches. In particular, we find that the Hund's rule coupling strength, the Jahn-Teller coupling strength, and the Hubbard interaction parameter U remain nearly constant for all the members of the RMnO3 series, whereas the nearest neighbor hopping amplitudes show a monotonic attenuation as expected from the trend of the tolerance factor. Magnetic exchange interactions, computed by mapping a large set of hybrid functional total energies onto an Heisenberg Hamiltonian, clarify the origin of the A-type magnetic ordering observed in the early rare-earth manganite series as arising from a net negative out-of-plane interaction energy. The obtained exchange parameters are used to estimate the Neel temperature by means of Monte Carlo simulations. The resulting data capture well the monotonic decrease of the ordering temperature down the R series, in agreement with experiments.Comment: 13 pages, 9 figures, 3 table

Características Antropométricas en Atletas de Jiu Jitsu Brasilero de Alto Nivel: Rol del Estilo de Lucha

Indexación: Web of Science; Scielo.SUMMARY: Human performance efficiency and effectiveness in different sports depend to a large extent on the size, weight and proportion of the physique of the athlete. The aim of this study was to identify morphological characteristics of Brazilian Jiu-Jitsu (BJJ) athletes. The sample consisted of 25 highly trained male athletes who were classified according to their fighting style; guard fighter (GF) vs. pass fighter (PF). The athletes were assessed for somatotype, body composition and proportionality. For the whole group of athletes the somatotype was 2.23±0.68, 6.33±1.14, and 1.75±0.87 for endomorph, mesomorph and ectomorph components, respectively. Muscle and adipose tissue percentages were 52.34±2.15% and 19.30±2.51%, respectively. PF were significantly more mesomorph (p< 0.05) and less ectomorph (p< 0.05) than GF. Also, PF had significantly higher phantom Z score for bone mass vs. GF (0.51±0.57 vs. 0.01±0.54; p<0.05), and significantly lower muscle mass- bone mass ratio (4.55±0.31 vs. 4.77±0.56; p<0.05), height (1.71±0.06 vs. 1.77±0.07; p<0.05) and height weight ratio (40.58±1.11 vs. 41.84±1.22). Our results show that morphological characteristics are related to different fighting styles in BJJ athletes.RESUMEN: La eficiencia y efectividad del rendimiento humano en diferentes deportes depende en gran medida del tamaño, peso y proporción del físico del atleta. El objetivo de este estudio fue identificar las características morfológicas de atletas jiu-jitsu brasileros. La muestra consintió de 25 atletas varones altamente entrenados, quienes fueron clasificados de acuerdo a su estilo de lucha; guarderos (GF) vs pasadores (PF). Se evaluó en los atletas somatotipo, composición corporal y proporcionalidad. Para el grupo total de atletas el somatotipo fue 2,23±0,68, 6,33±1,14 y 1,75±0,78 para el endomorfismo, mesomorfismo y ectomorfismo, respectivamente. Los porcentajes de tejido muscular y adiposo fueron 52,34±2,15% and 19,30±2,51%, respectivamente. PF fueron significativamente las mesomorfos (p<0,05) y menos ectomorfos (p<0,05) que GF. Además PF tuvieron una significativamente alto Z score para la masa ósea (4,55±0,31 vs. 4,77±0,56; p<0,05), estatura (1,71±0,06 vs. 1,77±0,07; p<0,05) y relación altura peso (40,58±1.11 vs. 41,84±1.22). Nuestros resultados muestran que las características morfológicas están relacionadas a diferentes estilos de lucha en atletas de BJJ.http://ref.scielo.org/bzhxy

Relação entre poda verde e o uso de material refletivo com a qualidade de pêssegos ´Eldorado´.

bitstream/item/33532/1/documento-134.pd

Generalized Warped Disk Equations

The manner in which warps in accretion disks evolve depends on the magnitude of the viscosity. ... See full text for complete abstract

Renyi Entropy of the XY Spin Chain

We consider the one-dimensional XY quantum spin chain in a transverse magnetic field. We are interested in the Renyi entropy of a block of L neighboring spins at zero temperature on an infinite lattice. The Renyi entropy is essentially the trace of some power $\alpha$ of the density matrix of the block. We calculate the asymptotic for $L \to \infty$ analytically in terms of Klein's elliptic $\lambda$ - function. We study the limiting entropy as a function of its parameter $\alpha$. We show that up to the trivial addition terms and multiplicative factors, and after a proper re-scaling, the Renyi entropy is an automorphic function with respect to a certain subgroup of the modular group; moreover, the subgroup depends on whether the magnetic field is above or below its critical value. Using this fact, we derive the transformation properties of the Renyi entropy under the map $\alpha \to \alpha^{-1}$ and show that the entropy becomes an elementary function of the magnetic field and the anisotropy when $\alpha$ is a integer power of 2, this includes the purity $tr \rho^2$. We also analyze the behavior of the entropy as $\alpha \to 0$ and $\infty$ and at the critical magnetic field and in the isotropic limit [XX model].Comment: 28 Pages, 1 Figur

Propagação de mirtilo do tipo Rabbiteye por estaquia e alporquia.

bitstream/item/30368/1/boletim-50.pd