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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…

Structural stability of paramagnetic (PM) body-centered cubic (bcc) Fe under pressure is investigated based on first-principles phonon calculations. Spin configurations of the PM phase are approximated using a binary special quasi-random…

Materials Science · Physics 2015-06-22 Yuji Ikeda , Atsuto Seko , Atsushi Togo , Isao Tanaka

Topological materials provide an exclusive platform to study the dynamics of relativistic particles in table-top experiments and offer the possibility of wide-scale technological applications. ZrSiS is a newly discovered topological…

Modeling spin-wave (magnon) dynamics in novel materials is important to advance spintronics and spin-based quantum technologies. The interactions between magnons and lattice vibrations (phonons) limit the length scale for magnon transport.…

We present a Raman scattering study of Ca$_2$RuO$_4$, in which we investigate the temperature-dependence of the lattice dynamics and the electron-phonon interaction below the metal-insulator transition temperature ({\it T}$_{\rm MI}$).…

Strongly Correlated Electrons · Physics 2009-11-11 H. Rho , S. L. Cooper , S. Nakatsuji , H. Fukazawa , Y. Maeno

On the spin-valve-like ferromagnet/spin glass/ferromagnet (FM/SG/FM) structure, the tunneling current is dominated by resistance switch (RS) instead of the local density of states according to the conventional tunneling theory. Here we show…

In the iron pnictides, the strong sensitivity of the iron magnetic moment to the arsenic position suggests a significant relationship between phonons and magnetism. We measured the phonon dispersion of several branches in the high…

First-order magnetostructural phase transitions underpin giant magnetocaloric effects, yet the microscopic role of lattice dynamics in these transitions remains controversial. Here we use first-principles spin-lattice dynamics simulations…

Materials Science · Physics 2026-01-12 Lokanath Patra , Zeyu Xiang , Yubi Chen , Bolin Liao

This work presents a comprehensive theoretical investigation of magnon-phonon-photon interactions in cubic ferromagnets near orientational phase transitions (OPT). The study focuses on the interplay of magnetoelastic (ME),…

Materials Science · Physics 2025-01-13 I. V. Bychkov , D. A. Kuzmin , V. A. Tolkachev , V. D. Buchelnikov , V. G. Shavrov

We present results from light scattering experiments on tetragonal FeS with the focus placed on lattice dynamics. We identify the Raman active A1g and B1g phonon modes, a second order scattering process involving two acoustic phonons, and…

We study the fundamental question of the lattice dynamics of a metallic ferromagnet in the regime where the static long range magnetic order is replaced by the fluctuating local moments embedded in a metallic host. We use the \textit{ab…

Strongly Correlated Electrons · Physics 2018-09-10 Qiang Han , Turan Birol , Kristjan Haule

Topological quantum magnets FeSn and Fe$_{3}$Sn$_{2}$ were studied using neutron scattering and first-principles calculations. Both materials are metallic but host dispersionless flat bands with Dirac nodes at the $K$ point in reciprocal…

Materials Science · Physics 2023-05-17 Yu Tao , Luke Daemen , Yongqiang Cheng , Joerg C. Neuefeind , Despina Louca

The coupling of Fe magnetic moments in LaFeAsO$_{1-x}$F$_{x}$ with the As $A_{1g}$ phonon is calculated. We present first principles calculations of the atomic and electronic structure of LaFeAsO as a function of electron doping. We perform…

Superconductivity · Physics 2017-08-09 Felix Yndurain

In the present paper we generalised a phenomenological model developed in \cite{gomo:2005} for the description of magnetostructural phase transitions and related peculiarities of elastic properties in solid oxygen under high pressure and/or…

Materials Science · Physics 2007-05-23 H. V. Gomonay , V. M. Loktev

The coupling between lattice vibration quanta and valence electrons can induce charge density modulations and decisively influence the transport properties of materials, e.g. leading to conventional superconductivity. In high critical…

Polarized Raman-scattering spectra of non-superconducting, single-crystalline FeTe are investigated as function of temperature. We have found a relation between the magnitude of ordered magnetic moments and the linewidth of A1g phonons at…

Strongly Correlated Electrons · Physics 2015-05-27 V. Gnezdilov , Yu. Pashkevich , P. Lemmens , A. Gusev , K. Lamonova , I. Vitebskiy , O. Afanasiev , S. Gnatchenko , V. Tsurkan , J. Deisenhofer , A. Loidl

We investigate the ${\rm H_3S}$ phase of sulphur hydride under high pressure $\simeq$ 200 GPa by means of {\it ab-initio} calculations within the framework of the density-functional theory (DFT) with the PBE0 hybrid exchange-correlation…

Superconductivity · Physics 2015-11-30 Matej Komelj , Henry Krakauer

We used polarization-resolved Raman scattering to study the magneto-elastic coupling in the parent compounds of several families of Fe-based superconductors (BaFe2As2, EuFe2As2, NaFeAs, LiFeAs, FeSe and LaFeAsO). We observe an emergent…

The coupling between lattice and charge degrees of freedom in condensed matter materials is ubiquitous and can often result in interesting properties and ordered phases, including conventional superconductivity, charge density wave order,…

Strongly Correlated Electrons · Physics 2017-07-03 T. P. Devereaux , A. M. Shvaika , K. Wu , K. Wohlfeld , C. J. Jia , Y. Wang , B. Moritz , L. Chaix , W. -S. Lee , Z. -X. Shen , G. Ghiringhelli , L. Braicovich

The phonon renormalization across the semiconductor-to-metal crossover in FeSi is investigated by inelastic neutron scattering combined with \textit{ab-initio} lattice dynamical calculations. A significant part of reciprocal space with a…

Materials Science · Physics 2022-05-03 Nazir Khan , Sven Krannich , Dominic Boll , Rolf Heid , Daniel Lamago , A. Ivanov , David Voneshen , Frank Weber