Related papers: Lattice dynamical calculations of infinite layer i…
By fitting to a database of ab-initio forces and energies, we can extract pair potentials for alloys, with a simple six-parameter analytic form including Friedel oscillations, which give a remarkably faithful account of many complex…
Interfacing complex oxides in atomically engineered layered structures can give rise to a wealth of exceptional electronic and magnetic properties that surpass those of the individual building blocks. Herein, we demonstrate a ferromagnetic…
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…
Inorganic metal halide perovskites are promising materials for next-generation technologies due to a plethora of unique physical properties, many of which cannot be observed in the oxide perovskites. On the other hand, the search for…
Li ion diffusion is fundamentally a thermally activated ion hopping process. Recently, soft lattice, anharmonic phonon and paddlewheel mechanism have been proposed to potentially benefit the ion transport, while the understanding of…
We investigate the dynamical properties of ${\rm Na_2IrO_3}$. For five effective models proposed for ${\rm Na_2IrO_3}$, we numerically calculate dynamical structure factors (DSFs) with an exact diagonalization method. An effective model…
In order to identify and quantitatively analyze the anharmonicity of phonons relevant to the anomalous thermal expansion in the Ih phase of ice, we performed neutron inelastic scattering measurements of the phonon spectrum as a function of…
We use an x-ray free-electron laser to study the ultrafast lattice dynamics following above band-gap photoexcitation of the incipient ferroelectric potassium-tantalate, \kto. % We use ultrafast near-UV (central wavelength 266\,nm and 50 fs…
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…
We present results of ab-initio calculations of the electronic band structure, lattice dynamical properties, and elastic constants of LaOFeAs, the parent compound of the recently discovered superconducting iron-oxypnictide (LaO1-xFxFeAs).…
The electronic structure and the magnetic properties of iron-based superconductors are highly sensitive to the pnictogen height. Coherent excitation of the $A_{1g}$ phonon by femtosecond laser directly modulates the pnictogen height, which…
We have used the Sagdeev pseudo-potential technique to investigate the arbitrary amplitude ion acoustic solitons, double layers and supersolitons in a collisionless magnetized plasma consisting of adiabatic warm ions, isothermal cold…
We have measured far infrared reflectance and transmittance spectra as well as Raman scattering spectra of \alpha'-NaV2O5 single crystals for all the principal polarizations. The temperature range above the phase transition temperature…
We report the inelastic light scattering studies on SmFeAsO0.65 and SmFeAsO0.77H0.12 with iron isotopes namely 54Fe and 57Fe. In both of these systems under investigation we observed a significant shift in the frequency of the phonon modes…
We have discovered a new iron pnictide oxide superconductor (Fe2As2)(Sr4(Mg,Ti)2O6). This material is isostructual with (Fe2As2)(Sr4M2O6) (M = Sc, Cr, V), which were found in previous studies. The structure of this compound is tetragonal…
A new Laves phase superconductor NbBe2, prototype with MgCu2, having maximum Tc ~2.6 K has been reported very recently. Based on first-principle calculations, we systematically study the structural, elastic, mechanical, electronic, thermal…
We report a phonon density of states measurement of $\alpha$-ZnCl$_{2}$ using the coherent inelastic neutron scattering technique and a lattice dynamical calculation in four crystalline phases of ZnCl$_{2}$ using a transferable interatomic…
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…
Moire materials, created by lattice-mismatch or/and twist-angle, have spurred great interest in excavating novel quantum phases of matter. Latterly, emergent interfacial ferroelectricity has been surprisingly found in spatial inversion…
In recent years, the fundamental physics of spin-thermal (i.e., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics,…