相关论文: Path Integral Computation of Phonon Anharmonicity

The path integral formalism is applied to derive the full partition function of a generalized Su-Schrieffer-Heeger Hamiltonian describing a particle motion in a bath of oscillators. The electronic correlations are computed versus…

Applying the path integral formalism we study the equilibrium thermodynamics of the phonon field both in the Holstein and in the Su-Schrieffer-Heeger models. The anharmonic cumulant series, dependent on the peculiar source currents of the…

I propose a path integral description of the Su-Schrieffer-Heeger Hamiltonian, both in one and two dimensions, after mapping the real space model onto the time scale. While the lattice degrees of freedom are classical functions of time and…

The electron motion along a chain is described by a continuum version of the Su-Schrieffer-Heeger Hamiltonian in which phonon fields and electronic coordinates are mapped onto the time scale. The path integral formalism allows us to derive…

We derive the path integral of the semiclassical, one dimensional anharmonic Holstein model assuming that the electron motion takes place in a bath of non linear oscillators with quartic on site hard (and soft) potentials. The interplay…

We use the path integral approach to a two-dimensional noncommutative harmonic oscillator to derive the partition function of the system at finite temperature. It is shown that the result based on the Lagrangian formulation of the problem,…

We present a perturbative method for calculating phonon properties of an insulator in the presence of a finite electric field. The starting point is a variational total-energy functional with a field-coupling term that represents the effect…

Different classes of physical systems with sizeable electron-phonon coupling and lattice distortions present anomalous resistivity behaviors versus temperature. We study a molecular lattice Hamiltonian in which polaronic charge carriers…

Using the new variational approach proposed recently for a systematic improvement of the locally harmonic Feynman-Kleinert approximation to path integrals we calculate the partition function of the anharmonic oscillator for all temperatures…

Phonon anharmonicity is ubiquitous in real materials and is crucial for understanding thermal properties and phase stability. In this work, we show that anharmonic phonon modes can be obtained by maximizing their vibration stability during…

We devise an efficient scheme to determine vibrational properties from Path Integral Molecular Dynamics (PIMD) simulations. The method is based on zero-time Kubo-transformed correlation functions and captures the anharmonicity of the…

The Feynman path integral for the generalized harmonic oscillator is reviewed, and it is shown that the path integral can be used to find a complete set of wave functions for the oscillator. Harmonic oscillators with different…

A general and rigorous methodology to compute the quantum equilibrium isotope effect is described. Unlike standard approaches, ours does not assume separability of rotational and vibrational motions and does not make the harmonic…

Anharmonic lattice vibrations play a key role in many physical phenomena. They govern the heat conductivity of solids, strongly affect the phonon spectra, play a prominent role in soft mode phase transitions, allow ultrafast engineering of…

We derive the partition function of the one-body and two-body systems of classical noncommutative harmonic oscillator in two dimensions. Then, we employ the path integral approach to the quantum noncommutative harmonic oscillator and derive…

The phonon spectrum of the high-pressure simple cubic phase of calcium, in the harmonic approx- imation, shows imaginary branches that make it mechanically unstable. In this letter, the phonon spectrum is recalculated using…

The properties of an electron in a typical solid are modified by the interaction with the crystal ions, leading to the formation of a quasiparticle: the polaron. Such polarons are often described using the Fr\"ohlich Hamiltonian, which…

The anharmonic electron-phonon problem is solved in the infinite-dimensional limit using quantum Monte Carlo simulation. Charge-density-wave order is seen to remain at half filling even though the anharmonicity removes the particle-hole…

Introducing a perturbative definition, phase space path integrals can be calculated without slicing. This leads to a short-time expansion of the quantum-mechanical path amplitude, or a high-temperature expansion of the unnormalized density…

The understanding and modeling of inelastic scattering of thermal phonons at a solid/solid interface remain an open question. We present a fully quantum theoretical scheme to quantify the effect of anharmonic phonon-phonon scattering at an…