相关论文: Lattice dynamics and electronic transitions in a s…
Nickel orthoborate $Ni_{3}(BO_{3})_{2}$ having a complex orthorhombic structure $P_{nnm}$ (#58, Z=2) of the kotoite type is known for quite a long time as an antiferromagnetic material below $T_{N}$ = 46 K, but up to now its physical…
The electron-phonon interaction is of central importance for the electrical and thermal properties of solids, and its influence on superconductivity, colossal magnetoresistance, and other many-body phenomena in correlated-electron materials…
We present a Raman scattering study of Ca$_2$RuO$_4$, in which we investigate the temperature-dependence of the lattice dynamics and the electron-phonon interaction below the metal-insulator transition temperature ({\it T}$_{\rm MI}$).…
We investigate the interplay between lattice symmetry, phonons, and magnetism in the quasi-one-dimensional ladder compound BaFe$_2$S$_3$ by combining polarized synchrotron infrared spectroscopy, hybrid-functional density functional theory…
We present a comparative far-infrared reflection spectroscopy study of phonons, phase transitions, spin-phonon and electron-phonon interactions in isostructural multiferroic iron borates of gadolinium and terbium. The behavior of phonon…
Topological materials provide an exclusive platform to study the dynamics of relativistic particles in table-top experiments and offer the possibility of wide-scale technological applications. ZrSiS is a newly discovered topological…
We present a constrained density functional perturbation theory scheme for the calculation of structural and harmonic vibrational properties of insulators in the presence of an excited and thermalized electron-hole plasma. The method is…
Raman spectroscopy experiments on single crystals of CuSb2O6 and CoSb2O6 quasi-one-dimensional antiferromagnets with trirutile crystal structure were performed, with a focus on the first material. The observed Raman-active phonon modes and…
We present a detailed study of the lattice dynamics and electron-phonon coupling for a (3,3) carbon nanotube which belongs to the class of small diameter based nanotubes which have recently been claimed to be superconducting. We treat the…
The crystal structure and lattice phonons of (BEDT-TTF)_2I_3 superconducting \beta-phase are computed and analyzed by the Quasi Harmonic Lattice Dynamics (QHLD) method. Whereas the crystal structure and its temperature and pressure…
We present a comprehensive ab initio study of structural, electronic, lattice dynamical and electron-phonon coupling properties of the Bi(111) surface within density functional perturbation theory. Relativistic corrections due to spin-orbit…
Structural phase transitions drive several unconventional phenomena including some illustrious ferroic attributes which are relevant for technological advancements. With this note, we have investigated the structural transition of…
Solid-state electrolytes (SSEs) require ionic conductivities that are competitive with liquid electrolytes to realize applications in all-solid state batteries. Although numerous materials have been discovered, the underlying mechanisms…
We use density functional theory (DFT) calculations to study the lattice vibrations and electronic properties of the correlated metal LaNiO$_3$. To characterize the rhombohedral to cubic structural phase transition of perovskite LaNiO$_3$,…
The quasi-one-dimensional metallic system BaVS3 with a metal-insulator transition at T_MI=70 K shows large changes of the optical phonon spectrum, a central peak, and an electronic Raman scattering continuum that evolve in a three-step…
Reproducing the electronic structure of AM$_4$X$_8$ lacunar spinels with a breathing pyrochlore lattice is a great theoretical challenge due to the interplay of various factors. The character of the M$_4$X$_4$ cluster orbitals is critically…
The phase diagram of the half-filled spinless Holstein model for electrons interacting with quantum phonons is derived in three dimensions extending at finite temperature $T$ a variational approach introduced for the one-dimensional T=0…
Under pressure cesium undergoes a transition from a high-pressure fcc phase (Cs-II) to a collapsed fcc phase (Cs-III) near 4.2GPa. At 4.4GPa there follows a transition to the tetragonal Cs-IV phase. In order to investigate the lattice…
The nature of the lattice instability connected to the structural transition and superconductivity of (Sr,Ca)$_3$Ir$_4$Sn$_{13}$ is not yet fully understood. In this work density functional theory (DFT) calculations of the phonon…
We examine coherent phonons in a strongly driven sample of optimally-doped high temperature superconductor YBa$_2$Cu$_3$O$_{7-\delta}$. We observe a non-linear lattice response of the 4.5\,THz copper-oxygen vibrational mode at high…