نتایج جستجو برای: phonon vibrations
تعداد نتایج: 30225 فیلتر نتایج به سال:
Magnetic relaxation processes were first discussed for a crystal of paramagnetic transition ions. It was suggested that mechanical vibrations of the crystal lattice (phonons) modulate the crystal electric field of the magnetic ion, thus inducing a 'direct' relaxation between two different spin states. Direct relaxation has also been predicted for single-molecule magnets with a large spin and a ...
With the motivation of discovering high-temperature superconductors, evolutionary algorithm USPEX is employed to search for all stable compounds in the Sn-H system. In addition to the traditional SnH4, new hydrides SnH8, SnH12 and SnH14 are found to be thermodynamically stable at high pressure. Dynamical stability and superconductivity of tin hydrides are systematically investigated. I4m2-SnH8,...
The electron-phonon and Coulomb interactions in C6O and larger fullerene spheres are analyzed. The coupling between electrons and intramolecular vibrations give corrections 1—10 meV to the electronic energies for C60, and scales as R in larger molecules where R is the radius of the fullerene sphere. The energies associated with electrostatic interactions are of order 1—4 eV in C60 and scale as ...
To describe the interaction of molecular vibrations with electrons at a quantum dot contacted to metallic leads, we extend an analytical approach that we previously developed for the many-polaron problem. Our scheme is based on an incomplete variational Lang-Firsov transformation, combined with a perturbative calculation of the electron-phonon self-energy in the framework of generalized Matsuba...
Nuclear vibrations play a prominent role in the spectroscopy and dynamics of electronic systems. As recent experimental and theoretical studies suggest, this may be even more so when vibrational frequencies are resonant with transitions between the electronic states. Herein, a vibronic multilevel Redfield model is reported for excitonically coupled electronic two-level systems with a few explic...
The vibrational spectrum of ice XI at thermal wavelengths using the CASTEP code, a first-principles simulation method, is investigated. A dual-track approach is constructed to verify the validity for the computational phonon spectrum: collate the simulated spectrum with inelastic neutron scattering experiments and assign the photon scattering peaks according to the calculated normal vibration f...
Abstract This study found that polycrystalline AgP 2 shows intrinsic semiconducting electrical conductivity with Hall mobility of 51 cm V −1 s , which is as high Mg Si, and lattice thermal 1.2 W K m low Bi Te 3 . First-principles calculations theoretically indicate an semiconductor, the estimated carrier relaxation time τ 3.3 fs, long for a material. Moreover, effective mass hole * approximatel...
Phononic computing – the use of (typically thermal) vibrations for information processing – is a nascent technology; its capabilities are still being discovered. We analyze an alternative form of phononic computing inspired by optical, rather than electronic, computing. Using the acoustic Faraday effect, we design a phonon gyrator and thereby a means of performing computation through the manipu...
The interactions between electrons and lattice vibrations are fundamental to materials behaviour. In the case of group IV-VI, V and related materials, these interactions are strong, and the materials exist near electronic and structural phase transitions. The prototypical example is PbTe whose incipient ferroelectric behaviour has been recently associated with large phonon anharmonicity and the...
Phonons are quantized lattice vibrations and the major heat carriers in most crystalline materials. We have been utilizing femtosecond phonon spectroscopy to excite and detect optical coherent phonons (CPs) in various materials. However, the impact of CPs to overall thermal transport is still unknown. In this study, we developed a small perturbation model in MD to simulate CPs and investigate t...
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