Related papers: Ab-initio Phonon Calculations for the layered comp…
We propose to study novel quantum phases and excitations for a 2D spin-orbit (SO) coupled bosonic $p$-orbital optical lattice based on the recent experiments. The orbital and spin degrees of freedom with SO coupling compete and bring about…
Resonance Raman scattering, a very effective and sensitive technique for atomically thin semiconducting transition metal dichalcogenide, can be used to observe the phonons from the entire Brillouin zone. In addition to the significance of…
In the spin 1/2 antiferromagnetic Ca2CuO3 the optical excitation along 1D a Cu-O chain showed the enrichment of forbidden peaks that could not be explained by the group theory. We present the cluster-model ab initio study of these optical…
Charge density functional plus $U$ calculations are carried out to examine the validity of molecular $J_\text{eff}$=1/2 and 3/2 state in lacunar spinel GaM$_4$X$_8$ (M = Nb, Mo, Ta, and W). With LDA (spin-unpolarized local density…
The vibrational and electronic properties of 2-dimensinal (2D) materials can be efficiently tuned by external strain due to their good stretchability. Resonant Raman spectroscopy is a versatile tool to study the physics of phonons,…
We report infrared and Raman spectroscopy results of the spin-1/2 quantum magnet TiOCl. Giant anomalies are found in the temperature dependence of the phonon spectrum, which hint to unusual coupling of the electronic degrees of freedom to…
Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…
We calculate low-frequency Raman scattering from the confined acoustic phonon modes of CdS1-xSex nanoparticles embedded in borosilicate glass. The calculation of the Raman scattering by acoustic phonons in nanoparticles has been performed…
The equilibrium structure, energy bands, phonon dispersions, and s- and d-channel electron-phonon interactions (EPIs) are calculated for the infinite-layer superconductor CaCuO2 doped with 0.24 holes per CuO2. The LDA and the…
We report a polarized Raman study of Weyl semimetal TaAs. We observe all the optical phonons, with energies and symmetries consistent with our first-principles calculations. We detect additional excitations assigned to multiple-phonon…
We report temperature-dependent Raman scattering and X-ray diffraction studies of pyrochlore iridates, (Eu$_{1-x}$Bi$_x$)$_2$Ir$_2$O$_7$, for x=0, 0.02, 0.035, 0.05 and 0.1. The temperature variation in Raman experiments spans from 4 K to…
Temperature-dependent Raman spectra of TbMnO$_3$ from 5 K to 300 K in the spectral range of 200 to 1525 cm$^{-1}$ show five first-order Raman allowed modes and two high frequency modes. The intensity ratio of the high frequency Raman band…
ThCoC$_2$ is a non-BCS, noncentrosymmetric superconductor with $T_c \simeq 2.5$~K, in which pairing mechanism was suggested to be either spin fluctuations or the electron-phonon coupling. Earlier experimental work revealed that $T_c$ can be…
In this work, the Effective Phonon Dispersion of $\beta$- (Al$_x$Ga$_{1-x}$)$_2$O$_3$ alloy is investigated using the Phonon unfolding formalism. To capture the true randomness of the system, supercells are designed using the technique of…
We report the results of the investigation of the acoustic and optical phonons in quasi-two-dimensional antiferromagnetic semiconductors of the transition metal phosphorus trisulfide family with Mn, Fe, Co, Ni, and Cd as metal atoms. The…
Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D layered MoSe$_2$ intercalated with atomic manganese at…
We predict a double-resonant feature in the magnetic field dependence of the phonon-mediated longitudinal conductivity $\sigma_{xx}$ of a two-subband quasi-two-dimensional electron system in a quantizing magnetic field. The two sharp peaks…
Topological semimetals with several types of three-dimensional (3D) fermion of electrons, such as Dirac fermions, Weyl fermions, Dirac nodal lines and triply degenerate nodal points have been theoretically predicted and then experimentally…
Phonon modes found in low frequency Raman scattering from $CdS_{1-x}Se_x$ nanocrystals embedded in borosilicate glass arising from confined acoustic phonons are investigated. In addition to the breathing modes and quadrupolar modes, two…
The phase behavior and kinetic pathways of Li1+xV3O8 are investigated by means of density functional theory (DFT) and a cluster expansion (CE) methodology that approximates the system Hamiltonian in order to identify the lowest energy…