相关论文: Pressure dependence of atomic dynamics in barocalo…
Solid-state cooling using barocaloric materials is a promising avenue for eco-friendly, inexpensive and highly efficient cooling. To design barocaloric compounds ready for deployment, it is essential to understand their thermodynamic…
The deceptively simple inorganic salt ammonium sulfate undergoes a ferroelectric phase transition associated with a very large entropy change and both electrocaloric and barocaloric functionality. While the structural origins of the…
The effect of pressure on the zone-center optical phonon modes and the elastic properties of hafnium has been studied by both experimental (Raman scattering) and theoretical (DFT) approaches. It was found an anomaly dependence of the phonon…
High-entropy order-disorder phase transitions can be used for efficient and eco-friendly barocaloric solid-state cooling. Here the barocaloric effect is reported in an archetypal plastic crystal, adamantane. Adamantane has a colossal…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
Vibrational entropy plays a central role in determining phase stability and temperature dependent behavior in materials, yet its calculation from first-principles phonon methods remains computationally demanding. In this work, we combine…
We present temperature dependent inelastic neutron scattering measurments, accompanied byab-initio calculations of phonon spectra and elastic properties as a function of pressure to understand anharmonicity of phonons and to study the…
The temperature and pressure dependence of the thermal displacements and lattice parameters were obtained across the $\gamma \to \alpha$ phase transition of Ce using high-pressure, high-resolution neutron and synchrotron x-ray powder…
Lithium transition metal phospho-olivines are useful electrode materials, owing to their stability, high safety, low cost and cyclability. We report phonon studies using neutron inelastic scattering experiments, ab-initio density functional…
Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…
Anomalous thermal expansion behaviour of several open frame-work compounds has been extensively investigated using the techniques of inelastic neutron scattering and lattice dynamics. These compounds involve increasing level of structural…
We report a Raman study of the effect of temperature on the self-energies of optical phonons in a number of transition metals with hexagonal-close-packed structure. Anisotropic softening of phonon energies and narrowing of phonon linewidths…
The thermodynamical properties of magnetized nuclear matter at finite temperature and baryon chemical potential are studied within an effective model incorporating the QCD trace anomaly effect. The presence of magnetic field induces…
We examine the influence at room temperature of the deposit of a water layer on the phonon dynamics of a solid. It is shown that the water wetting at the surface of an Alumina monocrystal has deep effects on acoustic phonons, propagating…
The pressure dependence of a large number of phonon modes in CaFe2As2 with energies covering the full range of the phonon spectrum has been studied using inelastic x-ray and neutron scattering. The observed phonon frequency changes are in…
Sodium niobate (NaNbO3) exhibits most complex sequence of structural phase transitions in perovskite family and therefore provides as excellent model system for understanding the mechanism of structural phase transitions. We report…
The effect of pressure and temperature on the Raman-active phonon mode of osmium metal has been investigated for pressures up to 20 GPa and temperatures in the range 10--300 K. Under hydrostatic conditions (He pressure medium) the phonon…
We study the temperature relaxation dynamics of nodal-line semimetals after a sudden excitation in the presence of acoustic and optical phonon modes. We find that the nodal line constrains the electron momenta in scattering processes and,…
We theoretically investigate the frequency dependence of phonon-induced current noise in armchair carbon nanotubes at room temperature. Our results reveal the emergence of multiple resonance peaks in the high-frequency regime, which cannot…