Related papers: Importance of Non-Adiabatic Effects on Kohn Anomal…
The high-frequency Raman-active phonon modes of metallic single-walled carbon nanotubes (SWNTs) are thought to be characterized by Kohn anomalies (KAs), which are expected to be modified by the doping-induced tuning of the Fermi energy…
We report evidence of a non-adiabatic Kohn anomaly in boron-doped diamond, using a joint theoretical and experimental analysis of the phonon dispersion relations. We demonstrate that standard calculations of phonons using density functional…
We present a detailed study of the vibrational properties of Single Wall Carbon Nanotubes (SWNTs). The phonon dispersions of SWNTs are strongly shaped by the effects of electron-phonon coupling. We analyze the separate contributions of…
Phonon properties of realistic materials are routinely calculated within the Density Functional Perturbation Theory\,(DFPT). This is a semi--classical approach where the atoms are assumed to oscillate along classical trajectories immersed…
The adiabatic Born-Oppenheimer approximation is considered to be a robust approach that very rarely breaks down. Consequently, it is predominantly utilized to address various electron-phonon properties in condensed matter physics. By…
Phonon softening phenomena of the $\Gamma$ point optical modes including the longitudinal optical mode, transverse optical mode and radial breathing mode in "metallic" single wall carbon nanotubes are reviewed from a theoretical point of…
Kohn anomalies in three-dimensional metallic crystals are dips in the phonon dispersion that are caused by abrupt changes in the screening of the ion-cores by the surrounding electron-gas. These anomalies are also present at the…
We study the effects of Kohn anomalies on the superconducting properties in electron- and hole-doped cases of monolayer blue phosphorene, considering both adiabatic and non-adiabatic phonon dispersions using first-principles calculations.…
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…
We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…
We develop a theory for the renormalization of the phonon energy dispersion in graphene due to the combined effects of both Coulomb and electron-phonon (e-ph) interactions. We obtain the renormalized phonon energy spectrum by an exact…
Phonon softening is a ubiquitous phenomenon in condensed matter systems which is often associated with charge density wave (CDW) instabilities and anharmonicity. The interplay between phonon softening, CDW and superconductivity is a topic…
Extensive inelastic neutron scattering measurements of phonons on a single crystal of CaFe2As2 allowed us to establish a fairly complete picture of phonon dispersions in the main symmetry directions. The phonon spectra were also calculated…
We calculate phonon shifts of external modes of a bunch of carbon nanotubes. A simple model based on atom-atom potential has been used to calculate the implicit anharmonicity in the phonons of carbon nanotube bundles having rigid tubes,…
We demonstrate that graphite phonon dispersions have two Kohn anomalies at the Gamma-E_2g and K-A'1 modes. The anomalies are revealed by two sharp kinks. By an exact analytic derivation, we show that the slope of these kinks is proportional…
We compute, from first-principles, the frequency of the E2g, Gamma phonon (Raman G-band) of graphene, as a function of the charge doping. Calculations are done using i) the adiabatic Born-Oppenheimer approximation and ii) time-dependent…
The phonon induced anomalous Hall or thermal Hall effects have been observed in various systems in recent experiments. However, the theoretical studies on this subject are very scarce and incomplete. In this work, we present a systematic…
In recent years, palladium has proven to be a crucial component for devices ranging from nanotube field effect transistors to advanced hydrogen storage devices. In this work, I examine the phonon dispersion of fcc Pd using first principle…
First-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for several systems in their cubic L2$\mathrm{_1}$ structure were obtained along the [110]…
Electronic transport in a model molecular device coupled to local phonon modes is theoretically analyzed. The method allows for obtaining an accurate approximation of the system's quantum state irrespective of the electron and phonon energy…