Effect of AA-site size difference on polar behavior in MMBiScNbO6_6,(MM==Na, K and Rb): Density functional calculations

We investigate the effect of $A$-site size differences in the double perovskites BiScO$_3$-$M$NbO$_3$ ($M$$=$Na, K and Rb) using first-principles calculations. We find that the polarization of these materials is 70$\sim$90 $\mu$C/cm$^2$ along the rhombohedral direction. The main contribution to the high polarization comes from large off-centerings of Bi ions, which are strongly enhanced by the suppression of octahedral tilts as the $M$ ion size increases. A high Born effective charge of Nb also contributes to the polarization and this contribution is also enhanced by increasing the $M$ ion size

Structural origins of electronic conduction in amorphous copper-doped alumina

We perform an {\it ab initio} modeling of amorphous copper-doped alumina (a-Al$_2$O$_3$:Cu), a prospective memory material based on resistance switching, and study the structural origin of electronic conduction in this material. We generate molecular dynamics based models of a-Al$_2$O$_3$:Cu at various Cu-concentrations and study the structural, electronic and vibrational properties as a function of Cu-concentration. Cu atoms show a strong tendency to cluster in the alumina host, and metallize the system by filling the band gap uniformly for higher Cu-concentrations. We also study thermal fluctuations of the HOMO-LUMO energy splitting and observe the time evolution of the size of the band gap, which can be expected to have an important impact on the conductivity. We perform a numerical computation of conduction pathways, and show its explicit dependence on Cu connectivity in the host. We present an analysis of ion dynamics and structural aspects of localization of classical normal modes in our models

Agro-environmental project duration and effectiveness in South-east Asia

Considerable emphasis has been placed on developing technologies for agricultural sustainability. Many bilateral projects are working to achieve this outcome. A desk review was conducted to study the importance of project duration for the effectiveness of sustainable agricultural projects. Longer-duration projects were successful in addressing more holistic issues than short projects. However, funding agencies tend to fund shorter-duration projects, so projects become progressively shorter. At the same time, the number of projects implemented each year is increasing. Despite the decrease in total development assistance, increases in project numbers, particularly since 1986, appear to be at the cost of project duration. Short project duration was one of the most cited reasons for not completing essential dissemination activities for wider adoption, whereas longer- duration projects were usually considered more successful in addressing more holistic issues. It is difficult to produce tangible outputs from agricultural and soil conservation projects within five years. Considering the slow changes in the system and in agricultural and environmental sustainability, the authors suggest that project developers should be advised to plan for a minimum of 5–10 years, depending on the nature of activities. It is time for funding agencies to reconsider their tendency to fund shorter-duration projects

Transverse Field Ising Ferromagnetism in Mn12_{12}-acetate-MeOH

We report measurements of the magnetic susceptibility of single crystals of Mn$_{12}$-acetate-MeOH, a new high-symmetry variant of the original single molecule magnet Mn$_{12}$-acetate. A comparison of these data to theory and to data for the Mn$_{12}$ acetate material shows that Mn$_{12}$-acetate-MeOH is a realization of a transverse-field Ising ferromagnet in contrast to the original Mn$_{12}$ acetate material, in which solvent disorder leads to effects attributed to random field Ising ferromagnetism.Comment: 6 pages, 4 figure

Electronic Structure, Magnetism and Superconductivity of Layered Iron Compounds

The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of disconnected hole and electron cylinders and additional hole sections that depend on the specific material. This places the materials in proximity to itinerant magnetism, both due to the high density of states and due to nesting. Comparison of density functional results and experiment provides strong evidence for itinerant spin fluctuations, which are discussed in relation to superconductivity. It is proposed that the intermediate phase between the structural transition and the SDW transition in the oxy-pnictides is a nematic phase.Comment: Proceedings ISS200

Realization of random-field dipolar Ising ferromagnetism in a molecular magnet

The longitudinal magnetic susceptibility of single crystals of the molecular magnet Mn$_{12}$-acetate obeys a Curie-Weiss law, indicating a transition to a ferromagnetic phase due to dipolar interactions. With increasing magnetic field applied transverse to the easy axis, the transition temperature decreases considerably more rapidly than predicted by mean field theory to a T=0 quantum critical point. Our results are consistent with an effective Hamiltonian for a random-field Ising ferromagnet in a transverse field, where the randomness is induced by an external field applied to Mn$_{12}$-acetate crystals that are known to have an intrinsic distribution of locally tilted magnetic easy axes.Comment: 4 pages, 4 figure