Strongly spin-orbit coupled two-dimensional electron gas emerging near the surface of polar semiconductors

We investigate the two-dimensional (2D) highly spin-polarized electron accumulation layers commonly appearing near the surface of n-type polar semiconductors BiTeX (X = I, Br, and Cl) by angular-resolved photoemission spectroscopy. Due to the polarity and the strong spin-orbit interaction built in the bulk atomic configurations, the quantized conduction-band subbands show giant Rashba-type spin-splitting. The characteristic 2D confinement effect is clearly observed also in the valence-bands down to the binding energy of 4 eV. The X-dependent Rashba spin-orbit coupling is directly estimated from the observed spin-split subbands, which roughly scales with the inverse of the band-gap size in BiTeX.Comment: 15 pages 4 figure

A Possible Phase Transition in beta-pyrochlore Compounds

We investigate a lattice of interacting anharmonic oscillators by using a mean field theory and exact diagonalization. We construct an effective five-state hopping model with intersite repulsions as a model for beta-pyrochlore AOs_2O_6(A=K, Rb or Cs). We obtain the first order phase transition line from large to small oscillation amplitude phases as temperature decreases. We also discuss the possibility of a phase with local electric polarizations. Our theory can explain the origin of the mysterious first order transition in KOs_2O_6.Comment: 4 pages, 4 figures, submitted to J. Phys. Soc. Jp

Orbital-dependent modifications of electronic structure across magneto-structural transition in BaFe2As2

Laser angle-resolved photoemission spectroscopy (ARPES) is employed to investigate the temperature (T) dependence of the electronic structure in BaFe2As2 across the magneto-structural transition at TN ~ 140 K. A drastic transformation in Fermi surface (FS) shape across TN is observed, as expected by first-principles band calculations. Polarization-dependent ARPES and band calculations consistently indicate that the observed FSs at kz ~ pi in the low-T antiferromagnetic (AF) state are dominated by the Fe3dzx orbital, leading to the two-fold electronic structure. These results indicate that magneto-structural transition in BaFe2As2 accompanies orbital-dependent modifications in the electronic structure.Comment: 13 pages, 4 figures. accepted by Physical Review Letter

Three-dimensional bulk band dispersion in polar BiTeI with giant Rashba-type spin splitting

In layered polar semiconductor BiTeI, giant Rashba-type spin-split band dispersions show up due to the crystal structure asymmetry and the strong spin-orbit interaction. Here we investigate the 3-dimensional (3D) bulk band structures of BiTeI using the bulk-sensitive $h\nu$-dependent soft x-ray angle resolved photoemission spectroscopy (SX-ARPES). The obtained band structure is shown to be well reproducible by the first-principles calculations, with huge spin splittings of ${\sim}300$ meV at the conduction-band-minimum and valence-band-maximum located in the $k_z=\pi/c$ plane. It provides the first direct experimental evidence of the 3D Rashba-type spin splitting in a bulk compound.Comment: 9 pages, 4 figure

Doping-dependence of nodal quasiparticle properties in high-TcT_{\rm c} cuprates studied by laser-excited angle-resolved photoemission spectroscopy

We investigate the doping dependent low energy, low temperature ($T$ = 5 K) properties of nodal quasiparticles in the d-wave superconductor Bi$_{2.1}$Sr$_{1.9}$CaCu$_2$O$_{8+\delta}$ (Bi2212). By utilizing ultrahigh resolution laser-excited angle-resolved photoemission spectroscopy, we obtain precise band dispersions near $E_{F}$, mean free paths and scattering rates ($\Gamma$) of quasiparticles. For optimally and overdoped, we obtain very sharp quasiparticle peaks of 8 meV and 6 meV full-width at half-maximum, respectively, in accord with terahertz conductivity. For all doping levels, we find the energy-dependence of $\Gamma \sim |\omega |$, while $\Gamma$($\omega =0$) shows a monotonic increase from overdoping to underdoping. The doping dependence suggests the role of electronic inhomogeneity on the nodal quasiparticle scattering at low temperature (5 K \lsim 0.07T_{\rm c}), pronounced in the underdoped region

Magnetism and Charge Dynamics in Iron Pnictides

In a wide variety of materials, such as copper oxides, heavy fermions, organic salts, and the recently discovered iron pnictides, superconductivity is found in close proximity to a magnetically ordered state. The character of the proximate magnetic phase is thus believed to be crucial for understanding the differences between the various families of unconventional superconductors and the mechanism of superconductivity. Unlike the AFM order in cuprates, the nature of the magnetism and of the underlying electronic state in the iron pnictide superconductors is not well understood. Neither density functional theory nor models based on atomic physics and superexchange, account for the small size of the magnetic moment. Many low energy probes such as transport, STM and ARPES measured strong anisotropy of the electronic states akin to the nematic order in a liquid crystal, but there is no consensus on its physical origin, and a three dimensional picture of electronic states and its relations to the optical conductivity in the magnetic state is lacking. Using a first principles approach, we obtained the experimentally observed magnetic moment, optical conductivity, and the anisotropy of the electronic states. The theory connects ARPES, which measures one particle electronic states, optical spectroscopy, probing the particle hole excitations of the solid and neutron scattering which measures the magnetic moment. We predict a manifestation of the anisotropy in the optical conductivity, and we show that the magnetic phase arises from the paramagnetic phase by a large gain of the Hund's rule coupling energy and a smaller loss of kinetic energy, indicating that iron pnictides represent a new class of compounds where the nature of magnetism is intermediate between the spin density wave of almost independent particles, and the antiferromagnetic state of local moments.Comment: 4+ pages with additional one-page supplementary materia

"Pudding mold" band drives large thermopower in Nax_xCoO2_2

In the present study, we pin down the origin of the coexistence of the large thermopower and the large conductivity in Na$_x$CoO$_2$. It is revealed that not just the density of states (DOS), the effective mass, nor the band width, but the peculiar {\it shape} of the $a_{1g}$ band referred to as the "pudding mold" type, which consists of a dispersive portion and a somewhat flat portion, is playing an important role in this phenomenon. The present study provides a new guiding principle for designing good thermoelectric materials.Comment: 5 page

Co-NMR Knight Shift of NaxCoO2 \dot yH2O Studied in Both Superconducting Regions of the Tc-nuQ3 Phase Diagram Divided by the Nonsuperconducting Phase

In the temperature (T)-nuQ3 phase diagram of NaxCoO2 \dot yH2O, there exist two superconducting regions of nuQ3 separated by the nonsuperconducting region, where nuQ3 is usually estimated from the peak position of the 59Co-NQR spectra of the 5/2-7/2 transition and well-approximated here as nuQ3~3nuQ,nuQ being the interaction energy between the nuclear quadrupole moment and the electric field gradient. We have carried out measurements of the 59Co-NMR Knight shift (K) for a single crystal in the higher-nuQ3 superconducting phase and found that K begins to decrease with decreasing T at Tc for both magnetic field directions parallel and perpendicular to CoO2-planes. The result indicates together with the previous ones that the superconducting pairs are in the spin-singlet state in both phases, excluding the possibility of the spin-triplet superconductivity in this phase diagram. The superconductivity of this system spreads over the wide nuQ3 regions, but is suppressed in the narrow region located at the middle point of the region possibly due to charge instability.Comment: 8 pages, 5 figures, submitted to J. Phys. Soc. Jp