Lattice dynamics in FeSe via inelastic X-ray scattering and first-principles calculations

Murai, Naoki; Fukuda, Tatsuo; Nakajima, Masamichi*; Kawamura, Mitsuaki*; Ishikawa, Daisuke*; Tajima, Setsuko*; Baron, A. Q. R.*

Physical Review B, 101(3), p.035126_1 - 035126_6, 2020/01

https://doi.org/10.1103/PhysRevB.101.035126

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 disagreement between them. A better overall agreement was obtained by allowing for spin-polarization in DFT calculations, despite the absence of magnetic order in FeSe. This calculation gives a realistic approximation, at DFT level, of the disordered paramagnetic state of FeSe, in which strong spin fluctuations are present.

Large trigonal-field effect on spin-orbit coupled states in a pyrochlore iridate

Uematsu, Daisuke*; Sagayama, Hajime*; Arima, Takahisa*; Ishikawa, Jun*; Nakatsuji, Satoru*; Takagi, Hidenori*; Yoshida, Masahiro*; Mizuki, Junichiro; Ishii, Kenji

Physical Review B, 92(9), p.094405_1 - 094405_6, 2015/09

https://doi.org/10.1103/PhysRevB.92.094405

X-ray diffraction measurements for expanded fluid Se using synchrotron radiation up to the dense vapor region

Inui, Masanori*; Hong, X.*; Matsusaka, Tetsuya*; Ishikawa, Daisuke*; Kazi, M. H.*; Tamura, Kozaburo*; Funakoshi, Kenichi*; Utsumi, Wataru

Journal of Non-Crystalline Solids, 312-314, p.274 - 278, 2002/10

https://doi.org/10.1016/S0022-3093(02)01683-6

no abstracts in English

Effect of magnetism on phonon dispersion of SrFeAs via inelastic X-ray scattering

Murai, Naoki*; Fukuda, Tatsuo; Uchiyama, Hiroshi*; Tsutsui, Satoshi*; Ishikawa, Daisuke*; Kobayashi, Tatsuya*; Nakamura, Hiroki; Machida, Masahiko; Nakajima, Masamichi*; Miyasaka, Shigeki*; et al.

no journal, , 

no abstracts in English

Effect of magnetism on lattice dynamics of SrFeAs via high-resolution inelastic X-ray scattering

Murai, Naoki; Fukuda, Tatsuo; Kobayashi, Tatsuya*; Nakajima, Masamichi*; Uchiyama, Hiroshi*; Ishikawa, Daisuke*; Tsutsui, Satoshi*; Nakamura, Hiroki; Machida, Masahiko; Miyasaka, Shigeki*; et al.

no journal, , 

We report the first IXS study of single crystals of SrFeAs that have been detwinned via application of in-plane uniaxial stress. Our results clearly show anisotropy in phonon structure below = characterized by mode splitting at tetragonally-equivalent momentum transfers. To the best of our knowledge, this is the first observation of phonon anisotropy in iron-pnictides at finite momentum transfers. We obtain good agreement with our results using calculations that are modified to account for a reduced magnetic moment and fluctuating magnetism. Previous efforts using either non-magnetic calculations or static magnetism tend to either get the dispersion wrong from non-magnetic calculations or strongly over-estimate the phonon mode splitting when static magnetism is included. Our model for the response below incorporates a phenomenological reduction in force constant anisotropy, by about 65%, that can be attributed to residual fast magnetic fluctuations. Above , all fluctuations are assumed to be fast and the response becomes the average of the results from the static magnetism. This serves as a starting point for a general model of phonons in iron-pnictides applicable to both non-magnetic and magnetic phases.