Related papers: Anharmonicity in Raman-active phonon modes in atom…
Zn(CN)2 is known to have an isotropic negative thermal expansion (NTE) coefficient (about -51 x 10-6 K-1) over 10-370 K that is twice as large as that of ZrW2O8. We have measured the pressure dependence of the phonon spectra up to 30 meV…
The detailed temperature dependence of the infrared-active mode in Fe$_{1.03}$Te ($T_N\simeq 68$ K) and Fe$_{1.13}$Te ($T_N\simeq 56$ K) has been examined, and the position, width, strength, and asymmetry parameter determined using an…
In the present work, Raman and photoluminescence spectroscopies were used to study the dynamics of phonons and different excitons of MoS$_2$ bilayer under a rotation of 29$^{\circ}$ dependent of the temperature. The twisted bilayer (T-2L)…
We present a general harmonic theory for the temperature dependence of phonon-renormalized properties of solids. Firstly, we formulate a perturbation theory in phonon-phonon interactions to calculate the phonon renormalization of physical…
Understanding collective phenomena in quantum materials from first principles is a promising route toward engineering materials properties on demand and designing new functionalities. This work examines the quantum paraelectric state, an…
The temperature evolution of the resonant Raman scattering from high-quality bilayer 2H-MoS$_{2}$ encapsulated in hexagonal BN flakes is presented. The observed resonant Raman scattering spectrum as initiated by the laser energy of 1.96 eV,…
The thermal, mechanical, and electronic performance of atomically thin semiconductors is governed by their low-energy phonons, yet the impact of atomic-scale disorder on these modes remains poorly understood. Here, we report the first…
The anharmonicity of the acoustic phonon dispersion of graphene has been studied by the harmonic linear response (HLR) approach at finite temperature. This is a non-perturbative method based on the linear response of the system to applied…
Synthetic powder, ore samples and mineral single crystals of goethite ($\alpha-$FeOOH) were investigated with polarized Raman spectroscopy at temperatures from 300 K to 473 K. The symmetry of the vibrational modes, observed in different…
Elucidating the details of the electron-phonon coupling in semiconductors and insulators is a topic of pivotal interest, as it governs the transport mechanisms and is responsible for various phenomena such as spectral-weight transfers to…
Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation of temperature and thermal nonequilibrium of different phonon…
We report plane-polarized Raman scattering spectra of iron oxypnictide superconductor NdFeAsO$_{1-x}$F$_x$ single crystals with varying fluorine $x$ content. The spectra exhibit sharp and symmetrical phonon lines with a weak dependence on…
We determine the nature of coupled phonons and magnetic excitations in AlFeO3 using inelastic light scattering from 5 K to 315 K covering a spectral range from 100-2200 cm-1 and complementary first-principles density functional theory-based…
Zn(CN)2 and Ni(CN)2 are known for exhibiting anomalous thermal expansion over a wide temperature range. The volume thermal expansion coefficient for the cubic, three dimensionally connected material, Zn(CN)2, is negative ({\alpha}V = -51 x…
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…
The out-of-plane fluctuations of carbon atoms in a graphene sheet have been studied by means of classical molecular dynamic simulations with an empirical force-field as a function of temperature. The Fourier analysis of the out-of-plane…
We present a systematic study of the structure and lattice dynamics at room temperature, and the phonon behavior at low temperatures in orthorhombic Gd$_{1-x}$Y$_{x}$MnO$_{3}$ manganites, with 0 $\leq$ x $\leq$ 0.4, using powder x-ray…
The novel ferroelectric-like structural transition observed in metallic LiOsO$_3$ [Y. Shi et al., Nat. Mater. 12, 1024 (2013)], has invoked many theoretical and experimental interests. In this work, we have performed polarized and…
We report a comparative Raman spectroscopic study of the quasi-one-dimensional charge-density-wave systems \ab (A = K, Rb). The temperature and polarization dependent experiments reveal charge-coupled vibrational Raman features. The…
A first-principles-based method for computing phonons of magnetic random solid solutions including thermal magnetic fluctuations is developed. The method takes fluctuations of force constants (FCs) due to magnetic excitations as well as due…