Related papers: Impurity modes and effect of clustering in diluted…
Far-infrared vibrational spectroscopy by multiple photon dissociation has proven to be a very useful technique for the structural fingerprinting of small metal clusters. Contrary to previous studies on cationic V, Nb and Ta clusters,…
Widespread interest in weakly bound molecular clusters of medium size (5-50 molecules) is motivated by their complicated energy landscapes, which lead to hundreds or thousands of distinct isomers. But most studies are theoretical in nature,…
The recent finding of a 1-bond->2-phonon `percolation'-type behaviour in several random zincblende alloys, supporting an unsuspected 1-bond->2-mode behaviour in the bond length distribution, renews interest for a discussion of CuPt-type…
We study theoretically the effects of strong pinning centers on a charge density wave in the limit that the charge density wave coherence length is shorter than the average inter-impurity distance. An analysis based on a Ginzburg-Landau…
We study the effects of random nonmagnetic impurities on the superconducting transition temperature $T_c$ in a two-band superconductor, where we assume the equal-time spin-singlet s-wave pair potential in each conduction band and the…
We investigate the strain-induced coupling between a nitrogen-vacancy impurity and a resonant vibrational mode of a diamond nanoresonator. We show that under near-resonant laser excitation of the electronic states of the impurity, this…
In the present work, we give an analytical non-perturbative treatment of mode-mode coupling and anharmonicity occurring in molecular vibrational systems analyzed by 2D-infrared spectroscopy. This analytical description allows a detailed…
For a wide class of technologically relevant compound III-V and II-VI semiconductor materials AC and BC mixed crystals (alloys) of the type A(x)B(1-x)C can be realized. As the electronic properties like the bulk band gap vary continuously…
We present a first-principles study of the confinement effects on the vibrational properties of thousand atoms (radii up to 16.2 {\AA}) colloidal III-V and II-VI nanoclusters. We describe how the molecular-type vibrations, such as…
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…
By applying an unrestriced Hartree-Fock approximation and a Random Phase approximation to multiband Peierls-Hubbard Hamiltonians, we determine the phonon mode structure in models of transition metal oxides in the presence of intrinsic…
A mixed II-VI semiconductor Zn[1-x]Be[x]Se possesses non-trivial vibration properties, because its two constituent compounds, ZnSe and BeSe, show very different degree of covalency and hence high elastic contrast. An anomalous Be-Se…
The multichannel Kondo model supports effective anyons on the partially screened impurity, as suggested by its fractional impurity entropy. It was recently demonstrated for the multi-impurity chiral Kondo model, that scattering of an…
We investigate the effect of single and multiple impurities on the Zeeman-localized, spin polarized bound states in dilute magnetic semiconductor hybrid system. Such bound states appear whenever a dilute magnetic semiconductor showing giant…
In this paper, we revisit the lattice vibration of one-dimensional monatomic linear chain under open and periodic boundary conditions, and give the exact conditions for the emergence of the local vibration mode when one of the atoms is…
Intermediate valence compounds containing rare earth or actinide ions are archetypal systems for the investigation of strong electron correlations. Their effective electron masses of 10 to 50 times the free electron mass result from a…
The effect of a magnetic field on the spectral density of a $\rm{S=1/2}$ Kondo impurity is investigated at zero and finite temperatures by using Wilson's numerical renormalization group method. A splitting of the total spectral density is…
We report a computational study, using the "moments method" [Y. Gao and M. Daw, Modelling Simul. Mater. Sci. Eng. 23 045002 (2015)], of the anharmonicity of the vibrational modes of single-walled carbon nanotubes. We find that modes with…
The Fourier-discrete-peridogram are used to identify pulsation modes in variables. We have found two pulsation modes in V1 and V2 among 13 new variables as described by Abbas et al.. The five variables V9 to V13 are not shown close to…
Modulation of probe signal in pump-probe measurements of coherent phonons in dielectrics, with and without spectral resolution, are investigated theoretically taking diamond as an example. Analytical investigation as well as…