We use inelastic neutron scattering to show that the spin waves in the iron chalcogenide Fe$_{1.05}$Te display novel dispersion clearly different from those in the related iron pnictide systems. By fitting the spin waves to a Heisenberg Hamiltonian,
we extract magnetic exchange couplings that are dramatically different from both predictions by density functional calculations and measurements on the iron pnictide CaFe$_2$As$_2$. While the nearest-neighbor exchange couplings in CaFe$_2$As$_2$ and Fe$_{1.05}$Te are quite different, their next-nearest-neighbor exchange couplings are similar. These results suggest that superconductivity in the pnictides and chalcogenides share a common magnetic origin that is intimately associated with the next-nearest-neighbor magnetic coupling between the irons.
Using both two orbital and five orbital models, we investigate the quasiparticle interference (QPI) patterns in the superconducting (SC) state of iron-based superconductors. We compare the results for nonmagnetic and magnetic impurities in sign-chang
ed s-wave $cos(k_x)cdotcos(k_y)$ and sign-unchanged $|cos(k_x)cdotcos(k_y)|$ SC states. While the patterns strongly depend on the chosen band structures, the sensitivity of peaks around $(pmpi,0)$ and $(0,pmpi)$ wavevectors on magnetic or non-magnetic impurity, and sign change or sign unchanged SC orders is common in two models. Our results strongly suggest that QPI may provide direct information of band structures and evidence of the pairing symmetry in the SC states.
We develop a local spin model to explain the rich magnetic structures in the iron-based superconductors $Fe_{1+y}Te_{1-x}Se_x$. We show that our model exhibits both commensurate antiferromagnetic and incommensurate magnetic order along the crystal a-
axis. The transition from the commensurate to the incommensurate phase is induced when the concentration of excess $Fe$ atoms is larger than a critical value. Experimentally measurable spin-wave features are calculated, and the mean-field phase diagram of the model is obtained. Our model also suggests the existence of a large quantum critical region due to strong spin frustration upon increasing $Se$ concentration.
Hyperconjugation is a basic conception of chemistry. Its straightforward effect is exhibited by the spatial delocalization characteristics of the electron density distributions or wavefunctions. Such effects on the electron wavefunctions of the highe
st-occupied molecular orbitals (HOMO) of two ethanol conformers are demonstrated with electron momentum spectroscopy together with natural bond orbital analyses, exhibiting the distinctly different symmetries of the HOMO wavefunctions in momentum space.
We study a spin $S$ quantum Heisenberg model on the Fe lattice of the rare-earth oxypnictide superconductors. Using both large $S$ and large $N$ methods, we show that this model exhibits a sequence of two phase transitions: from a high temperature sy
mmetric phase to a narrow region of intermediate ``nematic phase, and then to a low temperature spin ordered phase. Identifying phases by their broken symmetries, these phases correspond precisely to the sequence of structural (tetragonal to monoclinic) and magnetic transitions that have been recently revealed in neutron scattering studies of LaOFeAs. The structural transition can thus be identified with the existence of incipient (``fluctuating) magnetic order.
