Motivated by recent experimental observation of an hydrostatic pressure induced transition from semiconductor to semimetal in black phosphorus [Chen et al. in arXiv:1504.00125], we present the first principles calculation on the pressure effect of th
e electronic structures of black phosphorus. It is found that the band crossover and reversal at the Z point occur around the critical pressure Pc1=1.23 Gpa, and the band inversion evolves into 4 twofold-degenerate Dirac cones around the Z point, suggesting a 3D Dirac semimetal. With further increasing pressure the Dirac cones in the Gamma-Z line move toward the Gamma point and evolve into two hole-type Fermi pockets, and those in the Z-M lines move toward the M point and evolve into 2 hole-type Fermi pockets up to P=4.0 Gpa. It demonstrates clearly that the Lifshitz transition occurs at $P_{c1}$ from semiconductor to 3D Dirac semimetal protected by the nonsymmorphic space symmetry of bulk. This suggests the bright perspective of black phosphorus for optoelectronic and electronic devices due to its easy modulation by pressure.
The pairing symmetry in the iron-based superconductor Ba1-xKxFe2As2 may change from nodeless s-wave near x~0.4 and Tc>30 K, to nodal (either d-wave or s-wave) at x=1 and Tc<4 K. Theoretical interest has been focused on this possibility, where in the
transition region both order parameters would be present and time reversal symmetry would be broken. We report specific heat in magnetic fields down to 0.4 K of three single crystals, free of low temperature magnetic anomalies, of heavily overdoped Ba1-xKxFe2As2, x= 0.91, 0.88, and 0.81, Tc(mid) ~ 5.6, 7.2 and 13 K and Hc2 ~ 4.5, 6, and 20 T respectively. The data can be analyzed in a two gap scenario, Delta2/Delta1 ~ 4, with the field dependence of gamma (=C/T as T->0) showing an S-shape vs H, with the suppression of the lower gap by 1 T and gamma ~ H**1/2 overall. Although such a non-linear gamma vs H is consistent with deep minima or nodes in the gap, it is not clear evidence for one, or both, of the gaps being nodal. Following the established analysis of the specific heat of d-wave cuprate superconductors containing line nodes, we present the specific heat/H**1/2 vs T/H**1/2 of these Ba1-xKxFe2As2 samples which all, due to the absence of magnetic impurities, convincingly show the scaling for line node behavior for the larger gap. There is however no clear observation of the nodal behavior C ~ alpha*T**2 in zero field at low temperatures, with alpha ~ 2 mJ/molK**3 being consistent with the data. This, with the scaling, leaves the possibility of extreme anisotropy in a nodeless larger gap, Delta2, such that the scaling works for fields above 0.25 to 0.5 T (0.2 to 0.4 K in temperature units), where this an estimate for the size of the deep minima in the Delta2 ~ 20-25 K gap. Thus, the change from nodeless to nodal gaps in Ba1-xKxFe2As2 may be closer to the KFe2As2 endpoint than x=0.91.
We report the discovery of bulk superconductivity (SC) at 6.1 K in a quasi-one-dimensional (Q1D) chromium pnictide K$_2$Cr$_3$As$_3$ which contains [(Cr$_3$As$_3$)$^{2-}$]$_{infty}$ double-walled subnano-tubes with face-sharing Cr$_{6/2}$ (As$_{6/2}$
) octahedron linear chains in the inner (outer) wall. The material has a large electronic specific-heat coefficient of 70$sim$75 mJ K$^{-2}$ mol$^{-1}$, indicating significantly strong electron correlations. Signature of non-Fermi liquid behavior is shown by the linear temperature dependence of resistivity in a broad temperature range from 7 to 300 K. Unconventional SC is preliminarily manifested by the estimated upper critical field exceeding the Pauli limit by a factor of three to four. The title compound represents a rare example that possibly unconventional SC emerges in a Q1D system with strong electron correlations.
Using a variational Monte Carlo method, we investigate the nematic state in iron-base superconductors based on a three-band Hubbard model. Our results demonstrate that the nematic state, formed by introducing an anisotropic hopping order into the pro
jected wave function, can arise in the underdoped regime when a realistic off-site Coulomb interaction $V$ is considered. {color {red} We demonstrate that the off-site Coulomb interaction $V$, which is neglected so far in the analysis of iron-base superconductors, make a dominant contribution to the stabilization of nematic state. We calculate the doping dependencies of the anisotropic properties such as the unequal occupation of $d_{xz}$ and $d_{yz}$ orbitals, anisotropies of kinetic energy and spin correlations, and show that they are all suppressed upon electron doping, which are consistent with the intrinsic anisotropies observed by optical spectrum measurement and ARPES experiments.
A Single Star Scidar system(SSS) has been developed for remotely sensing atmospheric turbulence profiles. The SSS consists of computing the spatial auto/cross-correlation functions of short exposure images of the scintillation patterns produced by a
single star, and provides the vertical profiles of optical turbulence intensity C2n(h) and wind speed V(h). The SSS needs only a 40 cm aperture telescope, so that can be portable and equipped easily to field candidate sites. Some experiments for the SSS have been made in Beijing last year, successfully retrieving atmospheric turbulence and wind profiles from the ground to 30 km. The SSS observations has recently been made at the Xinglong station of NAOC, characterizing atmospheric parameters at this station. We plan to automatize SSS instrument and run remote observation via internet; a more friendly auto-SSS system will be set up and make use at the candidate sites in Tibet and Dome A.
We have systematically investigated the doping and the directional dependence of the gap structure in the 122-type iron pnictide superconductors by point contact Andreev reflection spectroscopy. The studies were performed on single crystals of Ba1-xK
xFe2As2 (x = 0.29, 0.49, and 0.77) and SrFe1.74Co0.26As2 with a sharp tip of Pb or Au pressed along the c-axis or the ab-plane direction. The conductance spectra obtained on highly transparent contacts clearly show evidence of a robust superconducting gap. The normalized curves can be well described by the Blonder-Tinkham-Klapwijk model with a lifetime broadening. The determined gap value scales very well with the transition temperature, giving the 2{Delta}/kBTC value of ~ 3.1. The results suggest the presence of a universal coupling behavior in this class of iron pnictides over a broad doping range and independent of the sign of the doping. Moreover, conductance spectra obtained on c-axis junctions and ab-plane junctions indicate that the observed gap is isotropic in these superconductors.
We have fabricated c-axis Josephson junctions on single crystals of (Ba,K)Fe2As2 by using Pb as the counter electrode in two geometries, planar and point contact. Junctions in both geometries show resistively shunted junction I-V curves below the Tc
of the counter electrode. Microwave induced steps were observed in the I-V curves, and the critical currents are suppressed with an in-plane magnetic field in a manner consistent with the small junction limit. ICRN products of up to 0.3 mV have been observed in these junctions at 4.2 K. The observation of Josephson coupling along the c-axis between (Ba,K)Fe2As2 and a conventional superconductor suggests the existence of a s-wave superconducting order parameter in this class of iron pnictide superconductors.
Measurements of magnetotransport and current-voltage (I-V) characteristics up to 9 T were used to investigate the vortex phase diagram of an under-doped Measurements of magnetotransport and current-voltage (I-V) characteristics up to 9 T were used to
investigate the vortex phase diagram of an under-doped (Ba,K)Fe2As2 single crystal with Tc=26.2 K. It is found that the anisotropy ratio of the upper critical field Hc2 decreases from 4 to 2.8 with decreasing temperature from Tc to 24.8 K. Consistent with the vortex-glass theory, the I-V curves measured at H=9 T can be well scaled with the vortex-glass transition temperature of Tg=20.7 K and critical exponents z=4.1 and v=1. Analyses in different magnetic fields produced almost identical critical exponent values, with some variation in Tg, corroborating the existence of the vortex-glass transition in this under-doped (Ba,K)Fe2As2 single crystal up to 9 T. A vortex phase diagram is presented, based on the evolution of Tg and Hc2 with magnetic field.
The vortex phase diagrams of NdFeAsO0.85F0.15 and NdFeAsO0.85 superconductors are determined from the analysis of resistivity and current-voltage (I-V) measurements in magnetic fields up to 9 T. A clear vortex glass to liquid transition is identified
only in the oxygen deficient NdFeAsO0.85, in which I-V curves can be well scaled onto liquid and glass branches consistent with the vortex glass theory. With increasing magnetic field, the activation energy U0, deduced from the Arrhenius plots of resistivity based on the thermally activated flux-flow model (TAFF), decays more quickly for NdFeAsO0.85F0.15 than for NdFeAsO0.85. Moreover, the irreversibility field Hirr of NdFeAsO0.85 increases more rapidly than that of NdFeAsO0.85F0.15 with decreasing temperature. These observations evidence the strong vortex pinning effects, presumably caused by the enhanced defects and disorders in the oxygen deficient NdFeAsO0.85. It is inferred that the enhanced defects and disorder can be also responsible for the vortex glass to liquid transition in the NdFeAsO0.85.
We develop the cluster self-consistent field method incorporating both electronic and lattice degrees of freedom to study the origin of ferromagnetism in Cs$_{2}$AgF$_{4}$. After self-consistently determining the harmonic and anharmonic Jahn-Teller d
istortions, we show that the anharmonic distortion stabilizes the staggered x$^{2}$-z$^{2}$/y$^{2}$-z$^{2}$ orbital and ferromagnetic ground state, rather than the antiferromagnetic one. The amplitudes of lattice distortions, Q$_{2}$ and Q$_{3}$, the magnetic coupling strengthes, J$_{x,y}$, and the magnetic moment, are in good agreement with the experimental observation.
