The Role of Crystal Symmetry in the Magnetic Instabilities of β\beta-YbAlB4_4 and α\alpha-YbAlB4_4

Density functional theory methods are applied to investigate the properties of the new superconductor $\beta$-YbAlB$_4$ and its polymorph $\alpha$-YbAlB$_4$. We utilize the generalized gradient approximation + Hubbard U (GGA+U) approach with spin-orbit(SO) coupling to approximate the effects of the strong correlations due to the open $4f$ shell of Yb. We examine closely the differences in crystal bonding and symmetry of $\beta$-YbAlB$_4$ and $\alpha$-YbAlB$_4$. The in-plane bonding structure amongst the dominant itinerant electrons in the boron sheets is shown to differ significantly. Our calculations indicate that, in both polymorphs, the localized 4$f$ electrons hybridize strongly with the conduction sea when compared to the related materials YbRh$_{2}$Si$_{2}$ and YbB$_{2}$. Comparing $\beta$-YbAlB$_4$ to the electronic structure of related crystal structures indicates a key role of the 7-member boron coordination of the Yb ion in $\beta$-YbAlB$_4$ in producing its enhanced Kondo scale and superconductivity. The Kondo scale is shown to depend strongly on the angle between the B neighbors and the Yb ion, relative to the $x-y$ plane, which relates some of the physical behavior to structural characteristics.Comment: 9 pages, 9 figures, 2 table

Doping driven magnetic instabilities and quantum criticality of NbFe2_{2}

Using density functional theory we investigate the evolution of the magnetic ground state of NbFe$_{2}$ due to doping by Nb-excess and Fe-excess. We find that non-rigid-band effects, due to the contribution of Fe-\textit{d} states to the density of states at the Fermi level are crucial to the evolution of the magnetic phase diagram. Furthermore, the influence of disorder is important to the development of ferromagnetism upon Nb doping. These findings give a framework in which to understand the evolution of the magnetic ground state in the temperature-doping phase diagram. We investigate the magnetic instabilities in NbFe$_{2}$. We find that explicit calculation of the Lindhard function, $\chi_{0}(\mathbf{q})$, indicates that the primary instability is to finite $\mathbf{q}$ antiferromagnetism driven by Fermi surface nesting. Total energy calculations indicate that $\mathbf{q}=0$ antiferromagnetism is the ground state. We discuss the influence of competing $\mathbf{q}=0$ and finite $\mathbf{q}$ instabilities on the presence of the non-Fermi liquid behavior in this material.Comment: 8 pages, 7 figure

Pressure-induced unconventional superconductivity near a quantum critical point in CaFe2As2

75As-zero-field nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements are performed on CaFe2As2 under pressure. At P = 4.7 and 10.8 kbar, the temperature dependences of nuclear-spin-lattice relaxation rate (1/T1) measured in the tetragonal phase show no coherence peak just below Tc(P) and decrease with decreasing temperature. The superconductivity is gapless at P = 4.7 kbar but evolves to that with multiple gaps at P = 10.8 kbar. We find that the superconductivity appears near a quantum critical point under pressures in the range 4.7 kbar < P < 10.8 kbar. Both electron correlation and superconductivity disappear in the collapsed tetragonal phase. A systematic study under pressure indicates that electron correlations play a vital role in forming Cooper pairs in this compound.Comment: 5pages, 5figure

Modern microwave methods in solid state inorganic materials chemistry: from fundamentals to manufacturing

No abstract available

Synthesis and properties of La-doped CaFe2As2 single crystals with Tc = 42.7 K

Large single crystals of La-doped CaFe2As2 were successfully synthesized by the FeAs self-flux method. The x-ray diffraction patterns suggest high crystalline quality and c-axis orientation. By substitution of trivalent La3+ ions for divalent Ca2+, the resistivity anomaly in the parent compound CaFe2As2 is completely suppressed and a superconducting transition reaches the value of 42.7 K, which is higher than that of about 30 K reported in Saha S. R. et al., arXiv:1105.4798v1. The upper critical field has been determined with the magnetic field along ab-plane and c-axis, yielding an anisotropy of about 3.3.Comment: 13 pages, 5 figure

Structural properties and superconductivity of SrFe2As2-xPx and CaFe2As2-yPy

The SrFe2As2-xPx and CaFe2As2-yPy materials were prepared by a solid state reaction method. X-ray diffraction measurements indicate the single-phase samples can be successfully obtained for SrFe2As2-xPx and CaFe2As2-yPy samples. Clear contraction of the lattice parameters are clearly determined due to the relatively smaller P ions substation for As. The SDW instability associated with tetragonal to orthorhombic phase transition is suppressed visibly in both systems following with the increase of P contents. The highest superconducting transitions are respectively observed at about 27 K in SrFe2As1.3P0.7 and at about 13 K in CaFe2As1.7P0.3.Comment: 11 pages, 5 figures, 2 table

Impact of unstable housing on all-cause mortality among persons who inject drugs

BACKGROUND: Illicit drug injecting is a well-established risk factor for morbidity and mortality. However, a limited number of prospective studies have examined the independent effect of unstable housing on mortality among persons who inject drugs (PWIDs). In this study we sought to identify if a relationship exists between unstable housing and all-cause mortality among PWIDs living in Vancouver, Canada. METHODS: PWIDs participating in two prospective cohort studies in Vancouver, Canada were followed between May 1996 and December 2012. Cohort data were linked to the provincial vital statistics database to ascertain mortality rates and causes of death. We used multivariate Cox proportional hazards regression to determine factors associated with all-cause mortality and to investigate the independent relationship between unstable housing and time to all-cause mortality. RESULTS: During the study period, 2453 individuals were followed for a median of 69 months (Inter-quartile range [IQR]: 34 – 113). In total, there were 515 (21.0%) deaths for an incidence density of 3.1 (95% Confidence Interval [CI]: 2.8 – 3.4) deaths per 100 person years. In multivariate analyses, after adjusting for potential confounders including HIV infection and drug use patterns, unstable housing remained independently associated with all-cause mortality (adjusted hazard ratio [AHR] = 1.30, 95% CI: 1.08 – 1.56). CONCLUSIONS: These findings demonstrate that unstable housing is an important risk factor for mortality independent of known risk factors including HIV infection and patterns of drug use. This study highlights the urgent need to provide supportive housing interventions to address elevated levels of preventable mortality among this population