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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 compute the phonon dispersion, density of states, and the Gr\"uneisen parameters of bulk palladium in the combined density functional theory (DFT) and dynamical mean-field theory (DMFT). We find good agreement with experimental results…

Strongly Correlated Electrons · Physics 2020-02-20 W. H. Appelt , A. Östlin , I. Di Marco , I. Leonov , M. Sekania , D. Vollhardt , L. Chioncel

Two-dimensional moir\'e materials are formed by artificially stacking atomically thin monolayers. A wealth of correlated and topological quantum phases can be engineered via precise choice of stacking geometry. These designer electronic…

We report the results of comprehensive study of the critical dynamics of the prototype perovskite antiferroelectric PbZrO$_3$. The combination of inelastic X-ray and diffuse X-ray scattering techniques and Brillouin light scattering was…

We theoretically investigate the effect of broken inversion symmetry on the generation and control of ultrafast currents in a transparent dielectric (SiO2) by strong femto-second optical laser pulses. Ab-initio simulations based on…

The combination of isochoric heating of solids by free electron lasers (FEL) and in situ diagnostics by X-ray Thomson scattering (XRTS) allows for measurements of material properties at warm dense matter (WDM) conditions relevant for…

Unknown changes in the crystalline order of regular TiO$_2$ result in the formation of black titania, which has garnered significant interest as a photocatalytic material due to the accompanying electronic changes. Herein, we determine the…

Materials Science · Physics 2019-08-08 Brett Leedahl , Tristan de Boer , Xiaotao Yuan , Alexander Moewes

Understanding the nature of the photoexcitation and ultrafast charge dynamics pathways in organic halide perovskite nanocubes and their aggregation into superlattices is key for the potential applications as tunable light emitters, photon…

We used femtosecond optical pump-probe spectroscopy to study the photoinduced change in reflectivity of thin films of the electron-doped cuprate La$_{2-x}$Ce$_x$CuO$_4$ (LCCO) with dopings of x$=$0.08 (underdoped) and x$=$0.11 (optimally…

Superconductivity · Physics 2017-03-16 I. M. Vishik , F. Mahmood , Z. Alpichshev , J. Higgins , R. L. Greene , N. Gedik

Using a combination of density functional theory calculations with an on-site Coulomb repulsion term (DFT+$U$) and Boltzmann transport theory within the constant relaxation time approximation, we explore the effect of oxygen vacancies on…

Materials Science · Physics 2023-11-29 Manish Verma , Rossitza Pentcheva

We present a study of the lattice dynamical properties of superconducting SrPt$_3$P ($T_c = 8.4$ K) via high-resolution inelastic x-ray scattering (IXS) and ab initio calculations. Density functional perturbation theory including spin-orbit…

Superconductivity · Physics 2016-01-20 D. A. Zocco , S. Krannich , R. Heid , K. -P. Bohnen , T. Wolf , T. Forrest , A. Bossak , F. Weber

The emergent properties of quantum materials, such as symmetry-broken phases and associated spectral gaps, can be effectively manipulated by ultrashort photon pulses. Impulsive optical excitation generally results in a complex…

Strongly Correlated Electrons · Physics 2021-01-04 L. X. Yang , G. Rohde , K. Hanff. A. Stange , R. Xiong , J. Shi , M. Bauer , K. Rossnagel

The symmetry breaking induced by the ferroelectric transition often triggers the emergence of topological electronic states such as Weyl fermions in ferroelectric-like metals/semimetals. Such strong coupling between the lattice deformation…

Materials Science · Physics 2022-04-14 Y. Okamura , H. Handa , R. Yoshimi , A. Tsukazaki , K. S. Takahashi , M. Kawasaki , Y. Tokura , Y. Takahashi

A novel approach based on the merging of the out--of--equilibrium Green's function method with the ab-initio, Density--Functional--Theory is used to describe the ultra--fast carriers relaxation in Silicon. The results are compared with…

Computational Physics · Physics 2014-09-08 Davide Sangalli , Andrea Marini

The study of photoexcited strongly correlated materials is attracting growing interest since their rich phase diagram often translates into an equally rich out-of-equilibrium behavior, including non-thermal phases and photoinduced phase…

As a 3D topological insulator, bismuth selenide (Bi2Se3) has potential applications for electrically and optically controllable magnetic and optoelectronic devices. How the carriers interact with lattice is important to understand the…

Identifying and understanding the mechanisms behind strong phonon-phonon scattering in condensed matter systems is critical to maximizing the efficiency of thermoelectric devices. To date, the leading method to address this has been to…

The interaction of exciton and charge transfer (CT) states plays a central role in photo-induced CT processes in chemistry, biology and physics. In this work, we use a combination of two-dimensional electronic spectroscopy (2D-ES),…

We present a comprehensive investigation of lattice dynamics in the double-helix antiferromagnet FeP by means of high-resolution time-of-flight neutron spectroscopy and ab-initio calculations. Phonons can hybridize with the magnetic…

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