The interplay between different degrees of freedom such as charge, spin, orbital, and lattice has received a great deal interest due to its potential engineer materials properties their functionalities for device applications. In this work, we have explored the crystallographic phase diagram Ba1-xSrxMnO3 studied correlation two freedom, namely phonons spins using magnetization inelastic light s...

Hexagonal boron nitride (hBN) is a wide band gap material with both strong excitonic light emission in the ultraviolet and exciton-phonon coupling. Luminescence experiments performed on recently synthesized monolayer form (m-hBN) present spectra that differ from one another, some suggesting coexistence between phonon-assisted direct channels. Motivated by these results, we investigated optical ...

Abstract Metal halides have emerged as a new generation of semiconductors with applications ranging from solar cells to chemical sensors. We assess the thermoelectric potential Cs 3 Cu 2 I 5 , which has crystal structure formed zero-dimensional [Cu ] 3− anionic clusters that are separated by + counter cations. find compound exhibits characteristics phonon-glass electron-crystal large imbalance ...

Ultrafast spectroscopies can access the dynamics of electrons and nuclei at short timescales, shedding light on nonequilibrium phenomena in materials. However, development accurate calculations to interpret these experiments has lagged behind as widely adopted simulation schemes are limited subpicosecond timescales or employ simplified interactions lacking quantitative accuracy. Here we show a ...

A theory is presented for the dispersion relations of the nonlinear phonon-polaritons arising when phonons are coupled to the electromagnetic waves in multilayered structures of nonlinear materials. The calculations are applied to a multilayered structure consisting of a thin film surrounded by semi-infinite bounding media where each layer may have a frequency dependent dielectric function and ...

Abstract The lattice vibrations (phonon modes) of crystals underpin a large number material properties. harmonic phonon spectrum solid is the simplest description its structural dynamics and can be straightforwardly derived from Hellman–Feynman forces obtained in ground-state electronic structure calculation. presence imaginary modes indicates that not local minimum on potential-energy surface ...

Abstract Transition metal phosphorus trichalcogenides retain spin-charge coupling and lattice vibrations in different layers, which are useful for spintronic optoelectronic devices. The phonon, magnons excitonic properties of two-dimensional ternary nickel-phosphorus trisulfides (NiPS 3 ) investigated using Raman spectroscopy photoluminescence (PL) study. With magnetic exchange interaction, an ...