Magnetic ordering, electronic structure and magnetic anisotropy energy in the high-spin Mn10_{10} single molecule magnet

We report the electronic structure and magnetic ordering of the single molecule magnet [Mn$_{10}$O$_{4}$(2,2'-biphenoxide)$_{4}$Br$_{12}$]$^{4-}$ based on first-principles all-electron density-functional calculations. We find that two of the ten core Mn atoms are coupled antiferromagnetically to the remaining eight, resulting in a ferrimagnetic ground state with total spin S=13. The calculated magnetic anisotropy barrier is found to be 9 K in good agreement with experiment. The presence of the Br anions impact the electronic structure and therefore the magnetic properties of the 10 Mn atoms. However, the electric field due to the negative charges has no significant effect on the magnetic anisotropy.Comment: 4 pages, submitted to PR

Privatization, Drought, and Fire Exclusion in the Tuul River Watershed, Mongolia

Global wildfire frequency and extent are expected to increase under projected climate change in the twenty-first century, yet little is known about how human activities might affect this trend. In central Mongolia, there has been a 2.5°C rise in spring and summer temperatures during the last 40 years and a decrease in moisture availability during the latter half of the twentieth century. Concurrently, Mongolia has experienced multiple shifts in socioeconomic systems during the twentieth century, most notably the establishment of a Soviet-backed communist economy in the 1920s and a rapid transition to privatization in the 1990s. Observed records of fire in the late twentieth century suggested that fire activity had increased, but no long-term data existed to place these trends in a historical context. Our objective was to identify spatial and temporal patterns in fire occurrence in the forest-steppe ecotone of the Tuul River watershed in the context of changing climatic and social conditions since 1875. We used fire-scarred trees to reconstruct past fire occurrence during the period 1875–2009. Our results indicate a significant association between human activity and fire occurrence independent of climatic variables. The greatest evidence for an anthropogenic fire regime exists following the transition to a free market economy during the early 1990s when land-use intensification near the capital city of Ulaanbaatar resulted in fire exclusion. We emphasize the importance of including socio-political variables in global models of wildfire potential, particularly where fuels limit fire activity

The Hamiltonian of the V15_{15} Spin System from first-principles Density-Functional Calculations

We report first-principles all-electron density-functional based studies of the electronic structure, magnetic ordering and anisotropy for the V$_{15}$ molecular magnet. From these calculations, we determine a Heisenberg Hamiltonian with four antiferromagnetic and one {\em ferromagnetic} coupling. We perform direct diagonalization to determine the temperature dependence of the susceptibility. This Hamiltonian reproduces the experimentally observed spin $S$=1/2 ground state and low-lying $S$=3/2 excited state. A small anisotropy term is necessary to account for the temperature independent part of the magnetization curve.Comment: 4 pages in RevTeX format + 2 ps-figures, accepted by PRL Feb. 2001 (previous version was an older version of the paper

Density-functional-based predictions of Raman and IR spectra for small Si clusters

We have used a density-functional-based approach to study the response of silicon clusters to applied electric fields. For the dynamical response, we have calculated the Raman activities and infrared (IR) intensities for all of the vibrational modes of several clusters (SiN with N=3-8, 10, 13, 20, and 21) using the local density approximation (LDA). For the smaller clusters (N=3-8) our results are in good agreement with previous quantum-chemical calculations and experimental measurements, establishing that LDA-based IR and Raman data can be used in conjunction with measured spectra to determine the structure of clusters observed in experiment. To illustrate the potential of the method for larger clusters, we present calculated IR and Raman data for two low-energy isomers of Si10 and for the lowest-energy structure of Si13 found to date. For the static response, we compare our calculated polarizabilities for N=10, 13, 20, and 21 to recent experimental measurements. The calculated results are in rough agreement with experiment, but show less variation with cluster size than the measurements. Taken together, our results show that LDA calculations can offer a powerful means for establishing the structures of experimentally fabricated clusters and nanoscale systems

Quality Improvement: Improving Depression Screening Rates at PMG Southeast Family Medicine Clinic

Introduction: Major depressive disorder is one of the most common mental health problems encountered by primary care providers in the U.S. For people age 12 and older, prevalence is estimated at eight percent. The economic cost of depression has been estimated at $210.5 billion per year, attributed to both costs to the work place and medical costs. People who experience depression are at greater risk for suicide, an otherwise preventable death if depression can be recognized and adequately treated. For these reasons, depression screening has become an essential function within primary care practices both within Providence and nation-wide.https://digitalcommons.psjhealth.org/milwaukie_family/1008/thumbnail.jp