相关论文: Monitorization of the H-O Bond Flexibility

Electromagnetic rigidity which exists in large-scale optical resonators if pumping frequency is detuned from the eigenfrequency of resonator have sophisticated spectral dependence which allows to obtain sensitivity better than the Standard…

The absorption spectrum of the title compound in the spectral range of the Hydrogen-bonded OH-stretching vibration has been investigated using a five-dimensional gas phase model as well as a QM/MM classical molecular dynamics simulation in…

We study the effect exerted by the electrons on the flexural phonons in graphene, accounting for the attractive interaction created by the exchange of electron-hole excitations. Combining the self-consistent computation of the phonon…

We show that recently reported unusual hardening of optical phonons renormalized by the electron-phonon interaction is due to the neglect of screening effects. When the electron-ion interaction is properly screened optical phonons soften in…

We investigate in the framework of linear response theory the complete phonon dispersion, phonon induced electronic charge response, electron-phonon interaction and dielectric and infrared properties of the high-temperature superconductors…

We present a general harmonic theory for the temperature dependence of phonon-renormalized properties of solids. Firstly, we formulate a perturbation theory in phonon-phonon interactions to calculate the phonon renormalization of physical…

A basic model of hydrogen bonds related to $\rm{H}_2\rm{O}$, which is adapted from the Jaynes--Cummings model, is suggested, and its different dynamic features are studied theoretically. In this model, the making and breaking of hydrogen…

We analyse a model where the anomalies of the bond-stretching LO phonon mode are caused by the coupling to electron dynamic response in the form of a damped oscillator and explore the possibility to reconstruct the spectrum of the latter…

The three-dimensional ternary LiFeO2 compound presents various unusual essential properties. The main features are thoroughly explored by the density functional and many-body perturbation theory. The concise physical/chemical picture, the…

We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated by comparing to ab-initio density functional theory…

Observed optical reflectivity in the infrared spectral region is compared with theoretical predictions in a strongly coupled electron-phonon system. Starting from a Froehlich Hamiltonian, the spectral functions and their temperature…

A phenomenological approach is presented that allows one to model, and thereby interpret, photoemission spectra of strongly correlated electron systems. A simple analytical formula for the self-energy is proposed. This self-energy describes…

Using a microscopic model of lattice vibrations in the STO(001) substrate, an additional 50 mev longitudinal optical (LO) interface mode is identified. The soft mode propagating mainly in the first TiO2 layer ("O chains") has stronger…

Nonequilibrium pump-probe time domain spectroscopies can become an important tool to disentangle degrees of freedom whose coupling leads to broad structures in the frequency domain. Here, using the time-resolved solution of a model…

We investigate here a generalized construction of spherical wavelets/needlets which admits extra-flexibility in the harmonic domain, i.e., it allows the corresponding support in multipole (frequency) space to vary in more general forms than…

We examined O:H-O bond relaxation under compression,heating,molecular undercoordination and claimed a universal resolution to the best-known mysteries of water ice such as ice foating, ice slipperiness, relegation and warm water cools…

The spectrum of phonon-like collective excitations in the system of Bose-atoms in optical lattice (more generally, in the system of quantum particles described by the Bose-Hubbard model) is investigated. Such excitations appear due to…

Hexagonal boron nitride (hBN) is a natural hyperbolic material which can also accommodate highly dispersive surface phonon-polariton modes. In this paper, we examine theoretically the mid-infrared optical properties of graphene-hBN…

A combination of the extended Ice Rule of Pauling, Raman spectroscopy, and molecular dynamics calculations has enabled us to clarify the bonding origin of the anomalous volume expansion, Raman phonon relaxation, and the stiffness and…

We report high-resolution inelastic x-ray measurements of the soft phonon mode in the charge-density-wave compound TiSe$_2$. We observe a complete softening of a transverse optic phonon at the L point, i.e. q = (0.5, 0, 0.5), at T ~…