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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…

超导电性 · 物理学 2023-10-31 Marco-Antonio Carmona-Galván , Rolf Heid , Omar De la Peña-Seaman

We use inelastic neutron scattering to study acoustic phonons and spin excitations in single crystals of NaFeAs, a parent compound of iron pnictide superconductors. NaFeAs exhibits a tetragonal-to-orthorhombic structural transition at…

We investigated the lattice dynamics of the unconventional superconductor LiFeAs using inelastic neutron scattering experiments and density-functional theory (DFT) calculations. By comparing the neutron scattering intensities with…

We present a Density Functional Theory (DFT) based first-principles study on iron chalcogenides superconductor FeSe, systematically investigating pressure and doping induced modifications to its electronic, magnetic, and lattice dynamical…

材料科学 · 物理学 2025-04-17 Abyay Ghosh , Piotr Chudzinski , Myrta Grüning

We have performed extensive ab initio calculations to investigate phonon dynamics and their possible role in superconductivity in BaFe2As2 and related systems. The calculations are compared to inelastic neutron scattering data that offer…

超导电性 · 物理学 2009-11-13 M. Zbiri , H. Schober , M. R. Johnson , S. Rols , R. Mittal , Y. Su , M. Rotter , D. Johrendt

The electronic structures, lattice dynamics, and magnetic properties of crystal {\beta}-FeSe under hydrostatic pressure have been studied by using the first-principles electronic structure calculations with van der Waals (vdW) corrections.…

超导电性 · 物理学 2013-11-25 Qian-Qian Ye , Kai Liu , Zhong-Yi Lu

Recently it has been suggested that the role of electron-phonon coupling in the mechanism of iron-based superconductors may have been underestimated and that the antiferromagnetism and the induced xy potential may even have a dramatic…

超导电性 · 物理学 2021-03-09 Chi Ho Wong , Rolf Lortz

A recent experiment by Shimizu et al. has provided evidence of a superconducting phase in hcp Fe under pressure. To study the pressure-dependence of this superconducting phase we have calculated the phonon frequencies and the…

材料科学 · 物理学 2009-11-07 S. K. Bose , O. V. Dolgov , J. Kortus , O. Jepsen , O. K. Andersen

Phonon measurements in the A15-type superconductors were complicated in the past because of the unavailability of large single crystals for inelastic neutron scattering, e.g., in the case of Nb$_3$Sn, or unfavorable neutron scattering…

超导电性 · 物理学 2019-04-19 A. Sauer , D. A. Zocco , A. H. Said , R. Heid , A. Böhmer , F. Weber

Spin-orbit coupling in solids is typically a single-body effect arising from relativity. In this work, we propose a spontaneous generation of spin-orbit coupling from symmetry breaking. A spin-dependent electron-phonon coupling model is…

强关联电子 · 物理学 2024-10-23 Xiangyu Zhang , Da Wang , Congjun Wu

We report an investigation of the lattice dynamical properties of LiFeAs using inelastic light scattering. Five out of the six expected phonon modes are observed. The temperature evolution of their frequencies and linewidths is in good…

超导电性 · 物理学 2012-01-13 Y. J. Um , J. T. Park , B. H. Min , Y. J. Song , Y. S. Kwon , B. Keimer , M. Le Tacon

The naturally weak spin-orbit coupling in Graphene can be largely enhanced by adatom deposition (e.g. Weeks et al. Phys. Rev. X 1, 021001 (2011)). However, the dynamics of the adatoms also induces a coupling between phonons and the electron…

介观与纳米尺度物理 · 物理学 2015-07-29 Jhih-Shih You , Daw-Wei Wang , Miguel A. Cazalilla

The interplay between spin dynamics and lattice vibration has been suggested as an important part of the puzzle of high-temperature superconductivity. Here we report the strong interaction between spin fluctuation and phonon in SmFeAsO, a…

超导电性 · 物理学 2010-10-29 L. Zhang , P. F. Guan , D. L. Feng , X. H. Chen , S. S. Xie , M. W. Chen

Polarized Raman-scattering spectra of superconducting, single-crystalline FeSe evidence pronounced phonon anomalies with temperature reduction. A large 6.5% hardening of the B_1g(Fe) phonon mode is attributed to the suppression of local…

High purity iron, which transforms into the hcp phase under pressure, has recently been reported to be superconducing in the pressure range 150-300 kBar [shim]. The electronic structure and the electron-phonon coupling ($\lambda_{ph}$) are…

超导电性 · 物理学 2015-06-24 T. Jarlborg

A strong electron-phonon interaction arises from the modulation of the superexchange interaction by lattice vibrations. It is responsible for the softening of the half-breathing modes around (pm pi/a,0) and (0, pm pi/a) in the…

超导电性 · 物理学 2007-05-23 Fusayoshi J. Ohkawa

We report an inelastic x-ray scattering investigation of phonons in FeSe superconductor. Comparing the experimental phonon dispersion with density functional theory (DFT) calculations in the non-magnetic state, we found a significant…

The lattice dynamic properties and spin-phonon coupling in DyMn$_2$O$_5$ are studied by using the density-functional theory. The calculated phonon frequencies are in very good agreement with experiments. We then compare the phonon modes…

材料科学 · 物理学 2009-11-13 Tianqi Shen , Kun Cao , Guang-Can Guo , Lixin He

The tin-selenide and tin-sulfide classes of materials undergo multiple structural transitions under high pressure leading to periodic lattice distortions, superconductivity, and topologically non-trivial phases, yet a number of…

材料科学 · 物理学 2020-10-23 Gyanu Prasad Kafle , Christoph Heil , Hari Paudyal , Elena R. Margine

With its central role in conventional BCS superconductivity, electron-phonon coupling has appeared to play a more subtle role in the phase diagram of the high temperature superconducting cuprates. The added complexity of the cuprates with…

强关联电子 · 物理学 2010-05-07 D. R. Garcia , A. Lanzara
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