Polaronic distortion and vacancy-induced magnetism in MgO

The electronic structure of the neutral and singly charged Mg vacancy in MgO is investigated using density functional theory. For both defects, semilocal exchange correlation functionals such as the local spin density approximation incorrectly predict a delocalized degenerate ground state. In contrast functionals that take strong correlation effects into account predict a localized solution, in agreement with spin resonance experiments. Our results, obtained with the HSE hybrid, atomic self-interaction corrected and LDA+U functionals, provide a number of constraints to the possibility of ferromagnetism in hole doped MgO

Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands

The bias-dependent transport properties of short poly(G)-poly(C) A-DNA strands attached to Au electrodes are investigated with first principles electronic transport methods. By using the non- equilibrium Green's function approach combined with self-interaction corrected density functional theory, we calculate the fully self-consistent coherent I-V curve of various double-strand polymeric DNA fragments. We show that electronic wave-function localization, induced either by the native electrical dipole and/or by the electrostatic disorder originating from the first few water solvation layers, drastically suppresses the magnitude of the elastic conductance of A-DNA oligonucleotides. We then argue that electron transport through DNA is the result of sequence-specific short-range tunneling across a few bases combined with general diffusive/inelastic processes.Comment: 15 pages, 13 figures, 1 tabl

Analysis of the Worst Case Space Complexity of a PR Quadtree

We demonstrate that a resolution-r PR quadtree containing n points has, in the worst case, at most nodes. This captures the fact that as n tends towards 4r, the number of nodes in a PR quadtree quickly approaches O(n). This is a more precise estimation of the worst case space requirement of a PR quadtree than has been attempted before

Room-temperature ferromagnetism in nanoparticles of superconducting materials

Nanoparticles of superconducting YBa2Cu3O7-delta (YBCO) (Tc = 91 K) exhibit ferromagnetism at room temperature while the bulk YBCO, obtained by heating the nanoparticles at high temperature (940 degree C), shows a linear magnetization curve. Across the superconducting transition temperature, the magnetization curve changes from that of a soft ferromagnet to a superconductor. Furthermore, our experiments reveal that not only nanoparticles of metal oxides but also metal nitrides such as NbN (Tc = 6 - 12 K) and delta-MoN (Tc ~ 6 K) exhibit room-temperature ferromagnetism.Comment: 11 pages, 6 figure

An Improved Bound for First-Fit on Posets Without Two Long Incomparable Chains

It is known that the First-Fit algorithm for partitioning a poset P into chains uses relatively few chains when P does not have two incomparable chains each of size k. In particular, if P has width w then Bosek, Krawczyk, and Szczypka (SIAM J. Discrete Math., 23(4):1992--1999, 2010) proved an upper bound of ckw^{2} on the number of chains used by First-Fit for some constant c, while Joret and Milans (Order, 28(3):455--464, 2011) gave one of ck^{2}w. In this paper we prove an upper bound of the form ckw. This is best possible up to the value of c.Comment: v3: referees' comments incorporate

Magnetic interaction of Co ions near the {10\bar{1}0} ZnO surface

Co-doped ZnO is the prototypical dilute magnetic oxide showing many of the characteristics of ferromagnetism. The microscopic origin of the long range order however remains elusive, since the conventional mechanisms for the magnetic interaction, such as super-exchange and double exchange, fail either at the fundamental or at a quantitative level. Intriguingly, there is a growing evidence that defects both in point-like or extended form play a fundamental role in driving the magnetic order. Here we explore one of such possibilities by performing {\it ab initio} density functional theory calculations for the magnetic interaction of Co ions at or near a ZnO \{10$\bar{1}$0\} surface. We find that extended surface states can hybridize with the $e$-levels of Co and efficiently mediate the magnetic order, although such a mechanism is effective only for ions placed in the first few atomic planes near the surface. We also find that the magnetic anisotropy changes at the surface from an hard-axis easy-plane to an easy axis, with an associated increase of its magnitude. We then conclude that clusters with high densities of surfacial Co ions may display blocking temperatures much higher than in the bulk

Social Media and the Adolescent and Young Adult (AYA) Patient with Cancer

Over 70,000 adolescent and young adults aged 15 to 39 years (AYA) are diagnosed with cancer each year in the US. The National Cancer Institute (NCI) has identified AYA cancer patients as a unique population. The most common cancers in this age group include tumors typically seen in pediatric patients such as acute lymphoblastic leukemia (ALL) and brain tumors, as well as cancers more typically seen in adult patients such as breast cancer and melanoma. In addition, some cancers have their highest incidence in AYA patients, such as Hodgkin Lymphoma, testicular cancer and bone tumors. AYA patients face additional unique issues due to their age, not just questions about treatment choices due to lack of data, but also questions about fertility, relationships, loss of autonomy, and interruptions in school/work with potentially significant financial complications. This age group also has very high rates of social media usage with up to 90% of adults aged 18 to 29 using social networking sites. In this review, we will describe the use of social media in AYAs with cancer and highlight some of the online resources for AYAs