相关论文: Ab initio lattice dynamics simulations and inelast…

We report Raman scattering spectra of iron-pnictide superconductor Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ single crystals with varying cobalt $x$ content. Upon cooling through the tetragonal-to-orthorhombic transition, we observe a large splitting…

Looking for superconductors with higher transition temperature requires a guiding principle. In conventional superconductors, electrons pair up into Cooper pairs via the retarded attraction mediated by electron-phonon coupling.…

We report inelastic light scattering experiments on CaFe_2As_2 in the temperature range of 4 to 290 K. In in-plane polarizations two Raman-active phonon modes are observed at 189 and 211 cm-1, displaying A_1g and B_1g symmetries,…

We investigate the properties of BaNi$_2$As$_2$ using first principles calculations. The band structure has a similar shape to that of the BaFe$_2$As$_2$, and in particular shows a pseudogap between a manifold of six heavy $d$ electron…

Fe$_{1.057(7)}$Te undergoes a first-order tetragonal to monoclinc structural transition at T$_{S} \sim 70$ K, breaking the C$_{4}$ lattice symmetry and simultaneously breaking time reversal symmetry with bicollinear magnetic order. We…

We present a comprehensive infrared spectroscopic study of lattice dynamics in the pnictide parent compound BaFe$_2$As$_2$. In the tetragonal structural phase, we observe the two degenerate symmetry-allowed in-plane infrared active phonon…

Reproducing the electronic structure of AM$_4$X$_8$ lacunar spinels with a breathing pyrochlore lattice is a great theoretical challenge due to the interplay of various factors. The character of the M$_4$X$_4$ cluster orbitals is critically…

Vibration properties of Zn(1-x)Be(x)Se, a mixed II-VI semiconductor haracterized by a high contrast in elastic properties of its pure constituents, ZnSe and BeSe, are simulated by first-principles calculations of electronic structure,…

We use inelastic neutron scattering to systematically investigate the Ni-doping evolution of the low-energy spin excitations in BaFe2-xNixAs2 spanning from underdoped antiferromagnet to overdoped superconductor (0.03< x < 0.18). In the…

Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…

We investigate the interplay of the electron-phonon and the spin fluctuation interaction for the superconducting state of YBa$_2$Cu$_3$O$_{7}$. The spin fluctuations are described within the nearly antiferromagnetic Fermi liquid theory,…

We estimate the effect of the superconducting gap anisotropy in the dispersive gap mode of phonons, which is observed by the neutron scattering on borocarbide superconductors. We numerically analyze the phonon spectrum considering the…

Although the rutile structure of TiO$_2$ is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly…

For over a century, x-ray scattering has been the most powerful tool for determining the equilibrium structure of crystalline materials. Deviations from perfect periodicity, for example due to thermal motion of the atoms, reduces the…

We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…

The interaction between lattice and spins is at the heart of an extremely intriguing ultrafast dynamics in magnetic materials. In this work we formulate a general non-equilibrium theory that disentangles the complex interplay between them…

Raman scattering spectra of new Fe-based S=2 spin ladder compound BaFe$_2$Se$_2$O are measured in a temperature range between 15 K and 623 K. All six A$_{1g}$ and two B$_{1g}$ Raman active modes of BaFe$_2$Se$_2$O, predicted by the…

We use polarized inelastic neutron scattering to study low-energy spin excitations and their spatial anisotropy in electron-overdoped superconducting BaFe$_{1.85}$Ni$_{0.15}$As$_{2}$ ($T_c=14$ K). In the normal state, the imaginary part of…

Phonon densities of states (DOS) for the high performing thermoelectric material, AgPbmSbTe2+m (LAST-m, m = 16, 18, and 20), were extracted from time-of-flight inelastic neutron scattering measurements. The phonon DOS of LAST-18 differs…

Phonon densities of states (DOS) of bcc $\alpha$-$^{57}$Fe were measured from room temperature through the 1044K Curie transition and the 1185K fcc $\gamma$-Fe phase transition using nuclear resonant inelastic x-ray scattering. At higher…