Related papers: Collective Phonon Mixing and Eigenvector Transport…
An infrared study of the phonon spectra of ZrW2O8 as a function of temperature which includes the low energy (2-10 meV) region relevant to negative thermal expansion is reported and discussed in the context of specific heat and neutron…
Due to their favorable properties and high porosity, zeolitic imidazolate frameworks (ZIFs) have recently received much limelight for key technologies such as energy storage, optoelectronics, sensorics, and catalysis. Despite the widespread…
Programmable materials hold great potential for many applications such as deployable structures, soft robotics, and wave control, however, the presence of instability and disorder might hinder their utilization. Through a combination of…
The ambient- and high-pressure behavior of the ferrimagnet Ni4Nb2O9 (orthorhombically distorted honeycomb structure), is investigated using NMR, Raman spectroscopy, and synchrotron XRD. Ambient-pressure NMR measurements reveal, despite its…
Processes involving ultrafast laser driven electron-phonon dynamics play a fundamental role in the response of quantum systems in a growing number of situations of interest, as evidenced by phenomena such as strongly driven phase…
Following a previous paper [Y. Shi, Phys. Rev. C 98, 014329(2018)], we present an extension of the density-functional theory to allow for dynamic calculations based on the obtained static Hartree-Fock results. We perform extensive benchmark…
Nuclear deformations and density profiles of neutron-rich even-even Zr isotopes are investigated using the Skyrme-Hartree-Fock-Bogoliubov method. Large quadrupole and hexadecapole deformations are predicted along with large enhancement of…
The quantum dynamics of Excited State Intramolecular Proton Transfer (ESIPT) is studied using a non-Markovian open quantum system perspective. Models of 2-(2-hydroxyphenyl) benzothiazole (HBT) and 10-hydroxybenzo[h]quinoline (HBQ) are…
We investigate the low energy acoustical and optical modes in $\mathrm{HgBa_2CuO_{4+\delta}}$ using inelastic x-ray scattering (IXS). The experimental phonon dispersion and the dynamical structure factor are compared with an atomic shell…
We consider the Friedrichs-Faddeev model in the case where the kernel of the potential operator is holomorphic in both arguments on a certain domain of $\mathbb{C}$. For this model we, first, study the structure of the $T$- and $S$-matrices…
We have performed a comprehensive computational study of the vibrational properties and electron-phonon couplings in the three known polymorphs of pentacene. Vibrational patterns and electron-phonon interactions were calculated at several…
We have investigated the phonon and the magnetic excitations in LaCoO3 by inelastic neutron scattering measurements. The acoustic phonon dispersions show some characteristic features of the folded Brillouin zone (BZ) for the rhombohedrally…
The discrete nature of the vibrational modes of an isolated nanometer-scale solid dramatically modifies its low-energy electron and phonon dynamics from that of a bulk crystal. However, nanocrystals are usually coupled--even if only…
First-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for several systems in their cubic L2$\mathrm{_1}$ structure were obtained along the [110]…
Density Functional Theory (DFT) calculations not only allow to predict the vibrational and optical properties of solids but also to understand and disentangle the mechanisms playing a key role in the generation of coherent optical phonons.…
The many body quantum dynamics of dipolar coupled nuclear spins I = 1/2 on an otherwise isolated cubic lattice are studied with nuclear magnetic resonance (NMR). By increasing the signal-to-noise ratio by two orders of magnitude compared…
We examine the interplay between electron correlations and phonons in an Anderson-Holstein impurity model with an Einstein phonon. When the phonons are slow compared to charge fluctuations (frequency $\omega_0 \ll U/2$, the onsite Coulomb…
We study the lattice dynamics of iron superconductor FeSe, and address the fundamental question of how important is proper description of fluctuating magnetic moments in metallic systems for phonon dispersion and phonon density of states.…
One way to reduce the lattice thermal conductivity of solids is to induce additional phonon surface scattering through nanostructures. However, how phonons interact with boundaries, especially at the atomic level, is not well understood. In…
Anisotropic density-near-zero (ADNZ) acoustic metamaterials are investigated theoretically and numerically in this letter and are shown to exhibit extraordinary transmission enhancement when material loss is induced. The enhanced…