Field-Induced Magnetostructural Transitions in Antiferromagnetic Fe1+yTe1-xSx

The transport and structural properties of Fe1+yTe1-xSx (x=0, 0.05, and 0.10) crystals were studied in pulsed magnetic fields up to 65 T. The application of high magnetic fields results in positive magnetoresistance effect with prominent hystereses in the antiferromagnetic state. Polarizing microscope images obtained at high magnetic fields showed simultaneous occurrence of structural transitions. These results indicate that magnetoelastic coupling is the origin of the bicollinear magnetic order in iron chalcogenides.Comment: 5 pages, 5 figures, accepted for publication in Journal of the Physical Society of Japa

Evolution of superconductivity by oxygen annealing in FeTe0.8S0.2

Oxygen annealing dramatically improved the superconducting properties of solid-state-reacted FeTe0.8S0.2, which showed only a broad onset of superconducting transition just after the synthesis. The zero resistivity appeared and reached 8.5 K by the oxygen annealing at 200\degree C. The superconducting volume fraction was also enhanced from 0 to almost 100%. The lattice constants were compressed by the oxygen annealing, indicating that the evolution of bulk superconductivity in FeTe0.8S0.2 was correlated to the shrinkage of lattice.Comment: 13 pages, 6 figure

Role of defects and disorder in the half-metallic full-Heusler compounds

Half-metallic ferromagnets and especially the full-Heusler alloys containing Co are at the center of scientific research due to their potential applications in spintronics. For realistic devices it is important to control accurately the creation of defects in these alloys. We review some of our late results on the role of defects and impurities in these compounds. More precisely we present results for the following cases (i) doping and disorder in Co$_2$Cr(Mn)Al(Si) alloys, (ii) half-metallic ferrimagnetism appeared due to the creation of Cr(Mn) antisites in these alloys, (iii) Co-doping in Mn$_2$VAl(Si) alloys leading to half-metallic antiferromagnetism, and finally (iv) the occurrence of vacancies in the full-Heusler alloys containing Co and Mn. These results are susceptible of encouraging further theoretical and experimental research in the properties of these compounds.Comment: Chapter intended for a book with contributions of the invited speakers of the International Conference on Nanoscale Magnetism 2007. Revised version contains new figure

Towards New Half-Metallic Systems: Zinc-Blende Compounds of Transition Elements with N, P, As, Sb, S, Se, and Te

We report systematic first-principles calculations for ordered zinc-blende compounds of the transition metal elements V, Cr, Mn with the sp elements N, P, As, Sb, S, Se, Te, motivated by recent fabrication of zinc-blende CrAs, CrSb, and MnAs. They show ferromagnetic half-metallic behavior for a wide range of lattice constants. We discuss the origin and trends of half-metallicity, present the calculated equilibrium lattice constants, and examine the half-metallic behavior of their transition element terminated (001) surfaces.Comment: 2nd Version: lattice constants calculations added, text revise

Possible Superconducting Symmetry and Magnetic Correlations in K0.8Fe2Se2: A 77Se-NMR Study

We report ^77Se-NMR measurements in the recent discovered K_0.8Fe_2Se_2 with the superconducting transition temperature T_c=32 K. The characteristic point of this system is that the high density of state is located in the vicinity of the Fermi level. The comparison between Knight shift and nuclear spin lattice relaxation rate 1/T_1 shows that the antiferromagnetic spin correlation is not strong in this system, but it is reasonable to consider that its development toward low temperatures occurs. 1/T_1 in the superconducting state can be reproduced well by an s+- wave model, but a d wave model also roughly reproduces the data. Non exponential behavior in 1/T_1 at low temperatures disagrees with a single isotropic gap.Comment: 4 pages, 4 figures, some mistakes were correcte

Role of defects on the electronic and magnetic properties of CrAs/InAs and CrAs/CdSe half-metallic interfaces

We present an extended study of single impurity atoms at the interface between the half-metallic ferromagnetic zinc-blende CrAs compound and the zinc-blende binary InAs and CdSe semiconductors in the form of very thin multilayers. Contrary to the case of impurities in the perfect bulk CrAs studied in [I. Galanakis and S.G. Pouliasis, J. Magn. Magn. Mat. 321 (2009) 1084] defects at the interfaces do not alter in general the half-metallic character of the perfect systems. The only exception are Void impurities at Cr or In(Cd) sites which lead, due to the lower-dimensionality of the interfaces with respect to the bulk CrAs, to a shift of the $p$ bands of the nearest neighboring As(Se) atom to higher energies and thus to the loss of the half-metallicity. But Void impurities are Schottky-type and should exhibit high formation energies and thus we expect the interfaces in the case of thin multilayers to exhibit a robust half-metallic character

Effects of Disorder in FeSe : An Ab Initio Study

Using the coherent-potential approximation, we have studied the effects of excess Fe, Se-deficiency, and substitutions of S, Te on Se sub-lattice and Co, Ni and Cu on Fe sub-lattice in FeSe. Our results show that (i) a small amount of excess Fe substantially disorders the Fe-derived bands while Se-deficiency affects mainly the Se-derived bands, (ii) the substitution of S or Te enhances the possibility of Fermi surface nesting, specially in FeSe$_{0.5}$Te$_{0.5}$, in spite of disordering the Se-derived bands, (iii) the electron doping through Co, Ni or Cu disorders the system and pushes down the Fe-derived bands, thereby destroying the possibility of Fermi surface nesting. A comparison of these results with the rigid-band, virtual-crystal and supercell approximations reveals the importance of describing disorder with the coherent-potential approximation.Comment: Redone VCA calculations, and some minor changes. (Accepted for publication in Journal of Physics:Condensed Matter

Proximity to Fermi-surface topological change in superconducting LaO0.54F0.46BiS2

The electronic structure of nearly optimally-doped novel superconductor LaO$_{1-x}$F$_x$BiS$_2$ (${\it x}$ = 0.46) was investigated using angle-resolved photoemission spectroscopy (ARPES). We clearly observed band dispersions from 2 to 6 eV binding energy and near the Fermi level (${\it E}_{\rm F}$), which are well reproduced by first principles calculations when the spin-orbit coupling is taken into account. The ARPES intensity map near ${\it E}_{\rm F}$ shows a square-like distribution around the $\Gamma$(Z) point in addition to electronlike Fermi surface (FS) sheets around the X(R) point, indicating that FS of LaO$_{0.54}$F$_{0.46}$BiS$_2$ is in close proximity to the theoretically-predicted topological change.Comment: 6 pages, 3 figures, + supplemental materia