相关论文: Unravelling the oxygen influence in cubic bixbyite…

We report the evolution of charge density wave states under pressure for two NbS3 phases triclinic (phase I) and monoclinic (phase II) at room temperature. Raman and X-ray diffraction (XRD) techniques are applied. The x-ray studies on the…

The lattice dynamic properties and spin-phonon coupling in DyMn$_2$O$_5$ are studied by using the density-functional theory. The calculated phonon frequencies are in very good agreement with experiments. We then compare the phonon modes…

Structural modifications in InP(111) due to 1.5 MeV implantation of Sb have been characterized using first order and second order Raman spectroscopy. With both Longitudinal Optical (LO) and Transverse Optical (TO) modes allowed for…

Excitonic polarons are quasiparticles formed by a Coulomb-bound electron-hole pair with strong coupling to lattice vibrations. Despite high fundamental interest in excitonic polarons, the experimental investigation of these particles…

The frequencies of transverse-optical $\Gamma$ phonons in KNbO$_3$ and KTaO$_3$ are calculated in the frozen-phonon scheme making use of the full-potential linearized muffin-tin orbital method. The calculated frequencies in the cubic phase…

We combine polarization-resolved low frequency Raman microscopy and dispersion-corrected density-functional calculations (DFT-D3) to study polymorph-dependent lattice vibrations in coronene, a model molecular system for nanographenes and…

Chalcogenides materials are being considered as some of the most promising systems for energy harvesting and energy conversion. Among them, the orthorhombic family of compounds X2Y3 (with X= Bi, Sb and Y= S, Se) has attracted special…

We report a detailed Raman scattering study of the lattice dynamics in detwinned single crystals of the underdoped high temperature superconductor YBa2Cu3O6+x (x=0.75, 0.6, 0.55 and 0.45). Whereas at room temperature the phonon spectra of…

We have performed first-principles calculations to study the lattice vibrational modes and their Raman activities in silicon nanowires (SiNWs). Two types of characteristic vibrational modes are examined: high-frequency optical modes and…

Advancement in quantum information and quantum technologies has ushered in a new era of technological revolution in large scale atomistic simulation and efficient system on a chip device fabrication. This has led to innovative ways of…

The IR- and Raman-active phonon frequencies, as well as the elastic constants of orthorhombic GeSe, were calculatedas a function of hydrostatic pressure using the method of density functional in the ABINIT software package. Comparison with…

We present a comprehensive temperature and polarization dependent inelastic light scattering (Raman) study on single crystals of two-dimensional CuCrP2S6, a layered van der Waals material exhibiting coupled magnetic and electric degrees of…

Atomically thin MoS$_{2}$ crystals have been recognized as a quasi-2D semiconductor with remarkable physics properties. This letter reports our Raman scattering measurements on multilayer and monolayer MoS$_{2}$, especially in the…

Inelastic light (Raman) scattering has been used to study electronic excitations and phonon anomalies in detwinned, slightly overdoped YBa$_2$Cu$_3$O$_{6.95}$ and moderately overdoped Y$_{0.85}$Ca$_{0.15}$Ba$_2$Cu$_3$O$_{6.95}$ single…

Molybdenum disulfide (MoS2) of single and few-layer thickness was exfoliated on SiO2/Si substrate and characterized by Raman spectroscopy. The number of S-Mo-S layers of the samples was independently determined by contact-mode atomic-force…

We use density functional theory to calculate the electronic band structures, cohesive energies, phonon dispersions, and optical absorption spectra of two-dimensional In$_2$X$_2$ crystals, where X is S, Se, or Te. We identify two…

The caged compound LaRu2Zn20 exhibits a structural transition at TS =150 K, whose driving mechanism remains elusive. We have investigated atomic dynamics by the measurements of specific heat C and inelastic X-ray scattering (IXS). The…

We have used ab-initio density functional theory technique to understand the phase transitions and structural changes in various high temperature/pressure phases of LiAlO2. The electronic band structure as well as phonon spectra are…

Room-temperature Raman scattering has been measured in lead tungstate up to 17 GPa. We report the pressure dependence of all the Raman modes of the tetragonal scheelite phase (PbWO4-I, space group I41/a), which is stable at ambient…

Lattice and spin excitations have been studied by Raman scattering in hexagonal YbMnO3 single crystals. The temperature dependences of the phonon modes show that the E2 mode at 256 cm-1 related to the displacement of Mn and O ions in a-b…