Related papers: Lattice Dynamics in PMN
Optical control of magnetism, of interest for high-speed data processing and storage, has only been demonstrated with near-infrared excitation to date. However, in absorbing materials, such high photon energies can lead to significant…
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…
Photonic crystals are extremely sensitive to structural disorder even to the point of completely losing their functionalities. While on one side this can be detrimental for applications in traditional optical devices, on the other side, it…
We study the direct calculation of total energy derivatives for lattice dynamics and electron-phonon coupling calculations using supercell matrices with non-zero off-diagonal elements. We show that it is possible to determine the response…
There is growing interest in using ultrafast light pulses to drive functional materials into nonequilibrium states with novel properties. The conventional wisdom is that above gap photoexcitation behaves similarly to raising the electronic…
The lattice dynamics of the superconducting materials LaFeSiH and LaFeSiO as well as their intermetallic precursor LaFeSi are investigated by polarized Raman spectroscopy and first-principles calculations, together with X-ray and advanced…
This study details the conditions under which strong-coupling perturbation theory can be applied to the molecular crystal model, a fundamental theoretical tool for analysis of the polaron properties. I show that lattice dimensionality and…
The lattice dynamical properties of Li$_x$BC are calculated for several values of $x$ using density functional perturbation theory. We find that the electron-phonon coupling parameter $\lambda$ increases monotonically with decreasing $x$ to…
A comparative study between PbTiO$_3$, PbZrO$_3$, and the solid solution PbZr$_{0.5}$Ti$_{0.5}$O$_3$ is performed on the soft mode lattice dynamics within the first Brillouin Zone. We consider the six unique B-site orderings for…
The recently developed self consistent {\it ab initio} lattice dynamical method (SCAILD) has been applied to the high temperature bcc phase of La and Th which are dynamically unstable at low temperatures. The bcc phase of these metals is…
Motivated by recent results using shaken optical lattices to perform atom interferometry, we explore splitting of an atom cloud trapped in a phase-modulated ("shaken") optical lattice. Using a simple analytic model we are able to show that…
We study the ground-state properties and nonequilibrium dynamics of hard-core bosons confined in one-dimensional lattices in the presence of an additional periodic potential (superlattice) and a harmonic trap. The dynamics is analyzed after…
Hybrid organic-inorganic semiconductors feature complex lattice dynamics due to the ionic character of the crystal and the softness arising from non-covalent bonds between molecular moieties and the inorganic network. Here we establish that…
The self-organization of strongly interacting electrons into superlattice structures underlies the properties of many quantum materials. How these electrons arrange within the superlattice dictates what symmetries are broken and what ground…
Polarized Raman scattering and infrared reflection spectra of hexagonal HoMnO$_3$ single crystals in the temperature range 10-300 K are reported. Group-theoretical analysis is performed and scattering selection rules for the second order…
The phase purity and the lattice dynamics in bulk EuTiO3 were investigated both microscopically, using X-ray and neutron diffraction, 151-Eu-M\"ossbauer spectroscopy, and 151-Eu nuclear inelastic scattering, and macroscopically using…
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semi-empirical model for anharmonic couplings of third and…
We show that formamidinium lead bromide is unique among the halide perovskite crystals because its inorganic sub-lattice exhibits intrinsic local static disorder that co-exists with a well-defined average crystal structure. Our study…
The lattice dynamics of FeSb2 is investigated by the first-principles DFT calculations and Raman spectroscopy. All Raman and infra-red active phonon modes are properly assigned. The calculated and measured phonon energies are in good…
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…