Giant Nernst effect and lock-in currents at magic angles in (TMTSF)2PF6

We have measured the thermoelectric signal along the a axis in (TMTSF)2PF6 at 10 kbar as a function of the orientation of the applied magnetic field. Resonantlike Nernst signals were found with a dramatic sign change as the field was rotated through the "Lebed magic angles." The sign change indicates that the electrical current is "locked in" to the magic angle (interchain) directions for field alignment close to, but on either side of, the magic angles. The amplitude of signals near these angles is many orders of magnitude larger than expected from conventional Boltzmann transport theory.     

Resonant nernst effect in the metallic and field-induced spin density wave States of (TMTSF)2ClO4

We examine an unusual phenomenon where, in tilted magnetic fields near magic angles parallel to crystallographic planes, a "giant" resonant Nernst signal has been observed by Wu et al. [Phys. Rev. Lett. 91, 056601 (2003)] in the metallic state of an organic conducting Bechgaard salt. We show that this effect appears to be a general feature of these materials and is also present in the field-induced spin density wave phase with even larger amplitude. Our results place conditions on any model that treats the metallic state as a state with finite Cooper pairing.     

Cluster formation in UV laser ablation plumes of ZnSe and ZnO studied by time-of-flight mass spectrometry

The composition of nitrogen laser (wavelength 337 nm, pulse width 3 ns) induced ablation plumes from ZnSe and ZnO targets was studied at different laser fluences using a time-of-flight mass spectrometer. In the case of ZnSe, abundant ion signals corresponding to Se and ZnSe clusters, some of which were Se-rich, were detected with fluence-dependent distributions. At a laser fluence of 1250 J m^-2, clusters with elevated intensity were observed at sizes of 6, 13, 19, 23 and 33 ZnSe molecules (magic numbers), which match quite well with the earlier observation by others of magic numbers of chemically similar ZnS produced by a conventional vaporization and quenching scheme. In the case of ZnO, we detected the presence of atomic Zn and molecular species of ZnO, as well as a series of (ZnO)_n-type clusters with fluence-dependent distributions. Unlike the case of ZnSe, no magic numbers were observed for ZnO. PACS 61.46.+w; 82.80.Rt; 42.62.-b; 81.16.Mk     

Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon

Owing to the interaction between the layers, the twisted bilayer two-dimensional(2 D) materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in current physical research community. By means of first-principles and tight-binding model calculations, the electronic properties of twisted bilayer biphenylene carbon(BPC) are systematically investigated in this paper. The results indicate that the effect of twist will not only leads to a phase transition from semiconductor to metal, but also an adjustable band gap in BPC(0 me V to 120 me V depending on the twist angle). Moreover, unlike the twisted bilayer graphene(TBG), the flat bands in twisted BPC are no longer restricted by "magic angles", i.e., abnormal flat bands could be appeared as well at several specific large angles in addition to the small angles. The charge density of these flat bands possesses different local modes, indicating that they might be derived from different stacked modes and host different properties. The exotic physical properties presented in this work foreshow twisted BPC a promising material for the application of terahertz and infrared photodetectors and the exploration of strong correlation.     

Onset of metallic behavior in magnesium clusters

We have measured the photoelectron spectra of mass-selected magnesium cluster anions, Mg- n, over the size range, n=3-35. Their s-p band gaps were observed to close at n=18, signaling the onset of metallic behavior. Electronic shell structure was implicated by gap "reopenings" and mass spectral magic numbers. Complementary calculations are presented in the companion paper [P. H. Acioli and J. Jellinek, Phys. Rev. Lett. 89, 213402 (2002)]].     

A theoretical study of the modal dispersion characteristics of an annular circular waveguide with helical winding as the outer cladding

In this present communication, we introduce a new type of annular optical waveguide whose outer cladding is made of sheath helix. The sheath helix is made up of the dielectric material of lower refractive index than the core materials. Using vector approach, the general characteristic equation for the proposed waveguide has been derived. The modal dispersion characteristics for the lowest-order modes for different pitch angles are determined and analyzed. We observe that there is no effect of pitch angles on dispersion curve nearly up to 89° but drastic change is observed at 90° and above pitch angle. On comparison of helically inner cladded annular circular waveguide, we have found that there is not the existence of the negative dispersion curve and photonic band gap in the helically outer cladded annular circular waveguide. It means only the inner cladding is responsible for the negative dispersion as well as photonic band gap. There is no effect of the outer cladding.     

Benefits of oxygen in CuInSe2 and CuGaSe2 containing Se-rich grain boundaries

Using density functional theory calculation, we show that oxygen (O) exhibits an interesting effect in CuInSe₂ and CuGaSe₂. The Se atoms with dangling bonds in a Se-rich Σ3 (114) grain boundary (GB) create deep gap states due to strong interaction between Se atoms. However, when such a Se atom is substituted by an O atom, the deep gap states can be shifted into valence band, making the site no longer a harmful non-radiative recombination center. We find that O atoms prefer energetically to substitute these Se atoms and induce significant lattice relaxation due to their smaller atomic size and stronger electronegativity, which effectively reduces the anion–anion interaction. Consequently, the deep gap states are shifted to lower energy regions close or even below the top of the valence band.     

Homonuclear correlation experiments for quadrupolar nuclei, spinning away from the magic angle

We present a set of homonuclear correlation experiments for half-integer quadrupolar spins in solids. In all these exchange-type experiments, the dipolar interaction is retained during the mixing time by spinning the sample at angles other than the “regular magic angle” (54.7°). The second-order quadrupolar interaction is averaged by different strategies for the different experiments. The multiple-quantum off magic angle spinning (MQOMAS) exchange experiment is essentially a regular MQMAS experiment where the quadrupolar interaction is averaged by combining magic angle spinning with a multiple- to single-quantum correlation scheme. The sample is spun at the magic angle at all times except during the mixing time which is added to establish homonuclear correlation. In the multiple-quantum P₄ magic angle spinning (MQP₄MAS) exchange experiment, the sample is spun at one of the angles at which the fourth-order Legendre polynomial vanishes (P₄ magic angle), the remaining second-order quadrupolar interaction now governed by a second-rank tensor is refocussed by the multiple to single-quantum correlation scheme. In the dynamic angle spinning (DAS) exchange experiment, the second-order quadrupolar interaction is averaged by correlating the evolution from two complementary angles. These experiments are demonstrated and compared, in view of their specific advantages and disadvantages, for ²³Na in the model compound Na₂SO₃.     

Distinct fermi surface topology and nodeless superconducting gap in a (Tl0.58Rb0.42)Fe1.72Se2 superconductor

High resolution angle-resolved photoemission measurements have been carried out to study the electronic structure and superconducting gap of the (Tl0.58Rb0.42)Fe1.72Se2 superconductor with a T(c) = 32 K. The Fermi surface topology consists of two electronlike Fermi surface sheets around the Γ point which is distinct from that in all other iron-based superconductors reported so far. The Fermi surface around the M point shows a nearly isotropic superconducting gap of ～12 meV. The large Fermi surface near the Γ point also shows a nearly isotropic superconducting gap of ～15 meV, while no superconducting gap opening is clearly observed for the inner tiny Fermi surface. Our observed new Fermi surface topology and its associated superconducting gap will provide key insights and constraints into the understanding of the superconductivity mechanism in iron-based superconductors.     

The Spectral Gap of the 2-D Stochastic Ising Model with Nearly Single-Spin Boundary Conditions

We establish upper bounds for the spectral gap of the stochastic Ising model at low temperature in an N×N box, with boundary conditions which are plus except for small regions at the corners which are either free or minus. The spectral gap decreases exponentially in the size of the corner regions, when these regions are of size at least of order logN. This means that removing as few as O(logN) plus spins from the corners produces a spectral gap far smaller than the order N ^–2 gap believed to hold under the all-plus boundary condition. Our results are valid at all subcritical temperatures.     

High-pressure thermopower of sulfur

First measurements of the thermopower and transverse magnetoresistance of sulfur at ultrahigh pressures of up to ～40 GPa are reported. The conductivity of sulfur, as that of other elemental Group VI semiconductors (Te, Se), is shown to be due to valence band holes. The variation of band gap width is derived from the pressure dependence of thermopower. The observed negative magnetoresistance of sulfur at P ～ 30 GPa indicates a low hole mobility and suggests the existence of an indirect minimum gap in the electronic spectrum. The pressure-induced variation of the electronic structure of sulfur is discussed in terms of the Peierls lattice instability model.     

Simultaneous quantization of bulk conduction and valence states through adsorption of nonmagnetic impurities on Bi2Se3

Exposing the (111) surface of the topological insulator Bi(2)Se(3) to carbon monoxide results in strong shifts of the features observed in angle-resolved photoemission. The behavior is very similar to an often reported "aging" effect of the surface, and it is concluded that this aging is most likely due to the adsorption of rest gas molecules. The spectral changes are also similar to those recently reported in connection with the adsorption of the magnetic adatom Fe. All spectral changes can be explained by a simultaneous confinement of the conduction band and valence band states. This is possible only because of the unusual bulk electronic structure of Bi(2)Se(3). The valence band quantization leads to spectral features which resemble those of a band gap opening at the Dirac point.     

Structural,electronic, and optical properties of bulk Cu2Se

By using first-principles calculations within the density functional theory and the many-body perturbation theory, we investigate the structural, electronic, and optical properties of bulk Cu₂Se with a recently discovered low-temperature layered configuration. We demonstrate that the effects of the van der Waals forces significantly modify the interlayer binding and distance in the layered Cu₂Se, while the band gap is invariant. Our density functional theory and post-processing GW calculations reveal that for the layered structure, GW correction remedies the serious band-gap underestimation of the density functional theory from 0.12 eV to 0.99 eV. By solving the Bethe–Salpeter equation, we find that the optical gap of the layered Cu₂Se is 0.86 eV, which is in close agreement with previous experimental observations. In addition, we show that the high-temperature fluorite structure has no band gap, even after GW correction, explaining that the band gap controversy among the theories stems from different structural models. This work may serve as an important guide in designing and evaluating photovoltaic devices using Cu₂Se-based materials.     

TDPAC Measurement of the quadrupole interaction of77Se in arsenic

By TDPAC the quadrupole coupling constant for⁷⁷Se (5/2^–, 248 keV, 9.3 ns) in metallic arsenic was measured to be _Q = 700 ± 60 MHz. The tabulation of electric field gradients (EFGs) for some different sp impurity host combinations shows large values for impurities with 6 valence electrons. If we assume that the selenium impurity is substituted in arsenic, then it is possible to interpret the very high _Q by the assumption of a big EFG and a large quadrupole moment (approximately 1 b) of the excited⁷⁷Se nucleus.     

In-plane transport and enhanced thermoelectric performance in thin films of the topological insulators Bi₂Te₃ and Bi₂Se₃

Several small-band-gap semiconductors are now known to protect metallic surface states as a consequence of the topology of the bulk electron wave functions. The known "topological insulators" with this behavior include the important thermoelectric materials Bi?Te? and Bi?Se?, whose surfaces are observed in photoemission experiments to have an unusual electronic structure with a single Dirac cone. We study in-plane (i.e., horizontal) transport in thin films made of these materials. The surface states from top and bottom surfaces hybridize, and conventional diffusive transport predicts that the tunable hybridization-induced band gap leads to increased thermoelectric performance at low temperatures. Beyond simple diffusive transport, the conductivity shows a crossover from the spin-orbit-induced antilocalization at a single surface to ordinary localization.     

Restoration of the n=82 shell gap from direct mass measurements of 132,134Sn

A high-precision direct Penning trap mass measurement has revealed a 0.5-MeV deviation of the binding energy of (134)Sn from the currently accepted value. The corrected mass assignment of this neutron-rich nuclide restores the neutron-shell gap at N=82, previously considered to be a case of "shell quenching." In fact, the new shell gap value for the short-lived (132)Sn is larger than that of the doubly magic (48)Ca which is stable. The N=82 shell gap has considerable impact on fission recycling during the r process. More generally, the new finding has important consequences for microscopic mean-field theories which systematically deviate from the measured binding energies of closed-shell nuclides.     

Angle-resolved photoemission spectroscopy of the iron-chalcogenide superconductor Fe1.03Te0.7Se0.3: strong coupling behavior and the universality of interband scattering

We have performed angle-resolved photoemission spectroscopy of the iron-chalcogenide superconductor Fe1.03Te0.7Se0.3 to investigate the electronic structure relevant to superconductivity. We observed a holelike Fermi surface (FS) and an electronlike FS at the Brillouin zone center and corner, respectively, which are nearly nested by the Q～(π,π) wave vector. We do not find evidence for the nesting instability with Q～(π+δ,0) reminiscent of the antiferromagnetic order in the parent compound Fe1+yTe. We have observed an isotropic superconducting (SC) gap along the holelike FS with the gap size Δ of ～4 meV (2Δ/kBTc ～ 7), demonstrating the strong-coupling superconductivity. The observed similarity of low-energy electronic excitations between iron-chalcogenides and iron-arsenides strongly suggests that common interactions which involve Q～(π,π) scattering are responsible for the SC pairing.     

Nonstationary effects in nitrogen multipulsed nuclear quadrupole resonance

Multiple echoes in the envelope of the nuclear quadrupole resonance (NQR) signal were obtained in a field of multipulse sequences in powdered nitrogen-containing materials at room temperature. Echo signals were observed over a wide range of pulse rotation angles. It is shown that an analogue of the magic NMR echo can be obtained in the field of multipulse sequence.     

Electronic properties of chalcopyrite CuAlX2(X=S,Se,Te) compounds

We present results of the band structure and density of states for the chalcopyrite compounds CuAlX₂ (X=S,Se,Te) using the state-of-the-art full potential linear augmented plane wave (FP-LAPW) method. Our calculations show that these compounds are direct band gap semiconductors. The energy gap decreases when S is replaced by Se and Se replaced by Te in agreement with the experimental data. The values of our calculated energy gaps are closer to the experimental data than the previous calculations. The electronic structure of the upper valence band is dominated by the Cu-d and X-p interactions. The existence of Cu-d states in the upper valence band has significant effect on the optical band gap.