Antiferromagnetic and structural transitions in the superoxide KO2 from first principles: A 2p-electron system with spin-orbital-lattice coupling

KO2 exhibits concomitant antiferromagnetic (AFM) and structural transitions, both of which originate from the open-shell 2p electrons of O$_{2}^{-}$ molecules. The structural transition is accompanied by the coherent tilting of O$_{2}^{-}$ molecular axes. The interplay among the spin-orbital-lattice degrees of freedom in KO2 is investigated by employing the first-principles electronic structure theory and the kinetic-exchange interaction scheme. We have shown that the insulating nature of the high symmetry phase of KO2 at high temperature (T) arises from the combined effect of the spin-orbit coupling and the strong Coulomb correlation of O 2p electrons. In contrast, for the low symmetry phase of KO2 at low T with the tilted O$_{2}^{-}$ molecular axes, the band gap and the orbital ordering are driven by the combined effects of the crystal-field and the strong Coulomb correlation. We have verified that the emergence of the O 2p ferro-orbital ordering is essential to achieve the observed AFM structure for KO2

P/N InP homojunction solar cells by LPE and MOCVD techniques

P/N InP homojunction solar cells have been prepared by using both liquid phase epitaxy (LPE) and metallorganic chemical vapor deposition (MOCVD) growth techniques. A heavily doped p-In sub 0.53Ga sub 0.47As contacting layer was incorporated into the cell structure to improve the fill factor and to eliminate surface spiking at the front surface. The best conversion efficiencies (total area) obtained under AM 1 illumination are 14.2 percent for a LPE cell and 15.4 percent for a MOCVD cell

Construction of equilibrium networks with an energy function

We construct equilibrium networks by introducing an energy function depending on the degree of each node as well as the product of neighboring degrees. With this topological energy function, networks constitute a canonical ensemble, which follows the Boltzmann distribution for given temperature. It is observed that the system undergoes a topological phase transition from a random network to a star or a fully-connected network as the temperature is lowered. Both mean-field analysis and numerical simulations reveal strong first-order phase transitions at temperatures which decrease logarithmically with the system size. Quantitative discrepancies of the simulation results from the mean-field prediction are discussed in view of the strong first-order nature.Comment: To appear in J. Phys.

Skyrmions in a Doped Antiferromagnet

Magnetization and magnetoresistance have been measured in insulating antiferromagnetic La_{2}Cu_{0.97}Li_{0.03}O_{4} over a wide range of temperatures, magnetic fields, and field orientations. The magnetoresistance step associated with a weak ferromagnetic transition exhibits a striking nonmonotonic temperature dependence, consistent with the presence of skyrmions.Comment: 4+ pages, 3 figures (some low resolution), supplementary material (3 pages); discussion expanded, references added; as publishe

Temperature-dependent Fermi surface evolution in heavy fermion CeIrIn5

In Cerium-based heavy electron materials, the 4f electron's magnetic moments bind to the itinerant quasiparticles to form composite heavy quasiparticles at low temperature. The volume of the Fermi surfacein the Brillouin zone incorporates the moments to produce a "large FS" due to the Luttinger theorem. When the 4f electrons are localized free moments, a "small FS" is induced since it contains only broad bands of conduction spd electrons. We have addressed theoretically the evolution of the heavy fermion FS as a function of temperature, using a first principles dynamical mean-field theory (DMFT) approach combined with density functional theory (DFT+DMFT). We focus on the archetypical heavy electrons in CeIrIn5, which is believed to be near a quantum critical point. Upon cooling, both the quantum oscillation frequencies and cyclotron masses show logarithmic scaling behavior (~ ln(T_0/T)) with different characteristic temperatures T_0 = 130 and 50 K, respectively. The resistivity coherence peak observed at T ~ 50 K is the result of the competition between the binding of incoherent 4f electrons to the spd conduction electrons at Fermi level and the formation of coherent 4f electrons.Comment: 5 pages main article,3 figures for the main article, 2 page Supplementary information, 2 figures for the Supplementary information. Supplementary movie 1 and 2 are provided on the webpage(http://www-ph.postech.ac.kr/~win/supple.html

Anomalous microwave conductivity coherence peak in c-axis MgB2 thin film

The temperature dependence of the real part of the microwave complex conductivity at 17.9 GHz obtained from surface impedance measurements of two c-axis oriented MgB2 thin films reveals a pronounced maximum at a temperature around 0.6 times the critical temperature. Calculations in the frame of a two-band model based on Bardeen-Cooper-Schrieffer (BCS) theory suggest that this maximum corresponds to an anomalous coherence peak resembling the two-gap nature of MgB2. Our model assumes there is no interband impurity scattering and a weak interband pairing interaction, as suggested by bandstructure calculations. In addition, the observation of a coherence peak indicates that the pi-band is in the dirty limit and dominates the total conductivity of our filmsComment: 10 pages, 4 figures, to be published in Phys. Rev. Let

Two-gap superconductivity in MgB2_{2}: clean or dirty?

A large number of experimental facts and theoretical arguments favor a two-gap model for superconductivity in MgB$_{2}$. However, this model predicts strong suppression of the critical temperature by interband impurity scattering and, presumably, a strong correlation between the critical temperature and the residual resistivity. No such correlation has been observed. We argue that this fact can be understood if the band disparity of the electronic structure is taken into account, not only in the superconducting state, but also in normal transport