Related papers: Anharmonic effects in MgB2? A comparative inelasti…
We develop a model to study the thermal expansion of surfaces, wherein phonon frequencies are obtained from ab initio total energy calculations. Anharmonic effects are treated exactly in the direction normal to the surface, and within a…
We report temporal changes in Raman-scattering spectra of detwinned YBa$_2$Cu$_3$O$_{6+x}$ single crystals under exposure to red laser light polarized along the crystallographic $a$-axis. A recent publication by Bakr et al. (Phys. Rev. B 88…
We present a first-principles machine-learning computational framework to investigate anharmonic effects in polarization-orientation (PO) Raman spectra of molecular crystals, focusing on anthracene and naphthalene. By combining machine…
Anharmonic decay of coherent optical phonons in semimetal Sb has been investigated by using a femtosecond pump-probe technique. The coherent $A_{1g}$ mode is observed in time domain in a wide temperature range of 7 - 290 K. The decay rate…
Recently colossal positive volume thermal expansion has been found in the framework compounds Ag3Co(CN)6 and Ag3Fe(CN)6. Phonon spectra have been measured using the inelastic neutron scattering technique as a function of temperature and…
We present the results of inelastic x-ray scattering for magnetite and analyze the energies and spectral widths of the phonon modes with different symmetries in a broad range of temperature 125<T<293 K. The phonon modes with X_4 and Delta_5…
Transition metal dichalcogenides (TMDs) are layered materials which show excellent potential for nanoelectronic and optoelectronic applications. However, as many of the exciting features of these materials are controlled by the anharmonic…
Inelastic neutron scattering measurements on silver oxide (Ag$_2$O) with the cuprite structure were performed at temperatures from 40 to 400\,K, and Fourier transform far-infrared spectra were measured from 100 to 300\,K. The measured…
Self-energy effects of Raman phonons in isotopically disordered semiconductors are deduced by perturbation theory and compared to experimental data. In contrast to the acoustic frequency region, higher-order terms contribute significantly…
The band structure of bilayer graphene is tunable by introducing a relative twist angle between the two layers, unlocking exotic phases, such as superconductor and Mott insulator, and providing a fertile ground for new physics. At…
We compute Raman scattering intensities via the lowest-order coupling to the bosonic propagator associated with orbital nematic fluctuations in a minimal model for iron pnictides. The model consists of two bands on a square lattice…
The Raman spectrum and particularly the Raman scattering intensities of monoclinic $\beta\text{-Ga}_2\text{O}_3$ are investigated by experiment and theory. The low symmetry of $\beta\text{-Ga}_2\text{O}_3$ results in a complex dependence of…
There is a growing consensus that the exceptional optoelectronic properties of metal halide perovskites (MHPs) are largely due to the peculiar interplay between the inorganic cage lattice, composed of a labile network of corner-sharing…
We develop a theoretical framework for probing moir\'e phonon modes using Raman spectroscopy, and illustrate it with the example of twisted bilayer graphene (TBG). These moir\'e phonons arise from interlayer sliding motion in twisted 2D…
Contradictory experiments have been reported about the dimensionality effect on the charge-density-wave transition in 2H NbSe$_2$. While scanning tunnelling experiments on single layers grown by molecular beam epitaxy measure a…
$\beta-Ga_2O_3$ is a promising material candidate for next-generation high power devices even as its low thermal conductivity ($\kappa$) limits utilization due to an inability to sufficiently dissipate heat. Despite its importance, a…
Through the integration of the power spectral density, we obtain temperature profiles of both multi-segment harmonic and anharmonic systems, showing the presence of an anomalous negative temperature gradient inside the interfacial segment.…
Palladium hydrides display the largest isotope effect anomaly known in literature. Replacement of hydrogen with the heavier isotopes leads to higher superconducting temperatures, a behavior inconsistent with harmonic theory. Solving the…
We study the effects of pressure on the electron-phonon interaction in MgB_2 using density-functional-based methods. Our results show that the superconductivity in MgB_2 vanishes by 100 GPa, and then reappears at higher pressures. In…
Raman scattering experiments on Na_{x}CoO_2 yH_2O single crystals show a broad electronic continuum with a pronounced peak around 100 cm-1 and a cutoff at approximately 560 cm-1over a wide range of doping levels. The electronic Raman…