Nuclear Magnetic Relaxation Rate in Iron-Pnictide Superconductors

Nuclear magnetic relaxation rate 1/T_1 in iron-pnictide superconductors is calculated using the gap function obtained in a microscopic calculation. Based on the obtained results, we discuss the issues such as the rapid decrease of 1/T_1 just below the transition temperature and the difference between nodeless and nodal s-wave gap functions. We also investigate the effect of Coulomb interaction on 1/T_1 in the random phase approximation and show its importance in interpreting the experimental results.Comment: Proceedings of 9th International Conference on Materials and Mechanisms of Superconductivity. To be published in Physica

Single Impurity Problem in Iron-Pnictide Superconductors

Single impurity problem in iron-pnictide superconductors is investigated by solving Bogoliubov-de Gennes (BdG) equation in the five-orbital model, which enables us to distinguish s$_{+-}$ and s$_{++}$ superconducting states. We construct a five-orbital model suitable to BdG analysis. This model reproduces the results of random phase approximation in the uniform case. Using this model, we study the local density of states around a non-magnetic impurity and discuss the bound-state peak structure, which can be used for distinguishing s$_{+-}$ and s$_{++}$ states. A bound state with nearly zero-energy is found for the impurity potential $I\sim 1.0$ eV, while the bound state peaks stick to the gap edge in the unitary limit. Novel multiple peak structure originated from the multi-orbital nature of the iron pnictides is also found.Comment: 5 page

Fermi-Suface Evolution by Transition-metal Substitution in the Iron-based Superconductor LaFeAsO

We study how Co- and Ni-substitution affect the electronic structure of the iron-based superconductor, LaFeAsO. We perform {\it ab initio} supercell calculations and unfold the first Brillouin zone (BZ) to calculate the spectral function in the BZ for the normal cell. The charge density distribution in real space shows that doped extra electrons are trapped around Co (Ni) atom. This seems to mean that Co(Ni)-substitution does not work as carrier doping. However, the present momentum-space analysis indicates that the Fermi-surface volume indeed expands by substitutions, which can be well described by the rigid-band shift. By taking into account this effective doping, we discuss whether the sign-reversing s-wave ($s_{\pm}$-wave) scenario is compatible with experiments.Comment: 4 pages, 3 figure

Effect of transition-metal substitution in iron-based superconductors

We study theoretically the current debatable issue about the effect of transition-metal (TM) substitution in iron-based superconductors through treating all of the TM ions as randomly distributed impurities. The extra electrons from TM elements are localized at the impurity sites. In the mean time the chemical potential shifts upon substitution. The phase diagram is mapped out and it seems that the TM elements can act as effective dopants. The local density of states (LDOS) is calculated and the bottom becomes V-shaped as the impurity concentration increases. The LDOS at the Fermi energy $\rho(\omega=0)$ is finite and reaches the minimum at the optimal doping level. Our results are in good agreement with the scanning tunneling microscopy experiments.Comment: 5 pages, 4 figure

Low-Energy Effective Hamiltonian and the Surface States of Ca_3PbO

The band structure of Ca_3PbO, which possesses a three-dimensional massive Dirac electron at the Fermi energy, is investigated in detail. Analysis of the orbital weight distributions on the bands obtained in the first-principles calculation reveals that the bands crossing the Fermi energy originate from the three Pb-p orbitals and three Ca-dx2y2 orbitals. Taking these Pb-p and Ca-dx2y2 orbitals as basis wave functions, a tight-binding model is constructed. With the appropriate choice of the hopping integrals and the strength of the spin-orbit coupling, the constructed model sucessfully captures important features of the band structure around the Fermi energy obtained in the first-principles calculation. By applying the suitable basis transformation and expanding the matrix elements in the series of the momentum measured from a Dirac point, the low-energy effective Hamiltonian of this model is explicitely derived and proved to be a Dirac Hamiltonain. The origin of the mass term is also discussed. It is shown that the spin-orbit coupling and the orbitals other than Pb-p and Ca-dx2y2 orbitals play important roles in making the mass term finite. Finally, the surface band structures of Ca_3PbO for several types of surfaces are investigated using the constructed tight-binding model. We find that there appear nontrivial surface states that cannot be explained as the bulk bands projected on the surface Brillouin zone. The relation to the topological insulator is also discussed.Comment: 11 page

Topological sound in active-liquid metamaterials

Liquids composed of self-propelled particles have been experimentally realized using molecular, colloidal, or macroscopic constituents. These active liquids can flow spontaneously even in the absence of an external drive. Unlike spontaneous active flow, the propagation of density waves in confined active liquids is not well explored. Here, we exploit a mapping between density waves on top of a chiral flow and electrons in a synthetic gauge field to lay out design principles for artificial structures termed topological active metamaterials. We design metamaterials that break time-reversal symmetry using lattices composed of annular channels filled with a spontaneously flowing active liquid. Such active metamaterials support topologically protected sound modes that propagate unidirectionally, without backscattering, along either sample edges or domain walls and despite overdamped particle dynamics. Our work illustrates how parity-symmetry breaking in metamaterial structure combined with microscopic irreversibility of active matter leads to novel functionalities that cannot be achieved using only passive materials

Giant orbital diamagnetism of three-dimensional Dirac electrons in Sr3PbO antiperovskite

This work was supported by Japan Society for the Promotion of Science (JSPS) KAKENHI (Grants No. 24224010, No. 15K13523, No. JP15H05852, No. JP15K21717,, No. 17H01140, No. 18H01162, and No. 17J05243), JSPS Core-to-Core Program (A) Advanced Research Networks, and the Alexander von Humboldt Foundation. S.S. acknowledges financial support by JSPS and the Materials Education program for the future leaders in Research, Industry, and Technology (MERIT).In Dirac semimetals, interband mixing has been known theoretically to give rise to a giant orbital diamagnetism when the Fermi level is close to the Dirac point. In Bi1−xSbx and other Dirac semimetals, an enhanced diamagnetism in the magnetic susceptibility χ has been observed and interpreted as a manifestation of such giant orbital diamagnetism. Experimentally proving their orbital origin, however, has remained challenging. The cubic antiperovskite Sr3PbO is a three-dimensional Dirac electron system and shows the giant diamagnetism in χ as in the other Dirac semimetals. 207Pb NMR measurements are conducted in this study to explore the microscopic origin of diamagnetism. From the analysis of the Knight shift K as a function of χ  and the relaxation rate T1–1 for samples with different hole densities, the spin and the orbital components in K are successfully separated. The results establish that the enhanced diamagnetism in Sr3PbO originates from the orbital contribution of Dirac electrons, which is fully consistent with the theory of giant orbital diamagnetism.Publisher PDFPeer reviewe