相关论文: Adiabatic and Nonadiabatic Electronics of Material…
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…
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…
The adiabatic cristal model is offered. It is shown that springy nuclei oscillations relatively electronic envelops and waves of such oscillations (inherent oscillations and waves) may exist in crystals. The analysis of experimental…
Linear dielectric thermodynamics are formally developed to explore the isothermal and adiabatic temperature - pressure dependence of dielectric constants. The refractive index of optical materials is widely measured in the literature: it is…
Electronic and optical properties of materials are affected by atomic motion through the electron-phonon interaction: not only band gaps change with temperature, but even at absolute zero temperature, zero-point motion causes band-gap…
Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM) materials with slowly varying spin texture is developed. Quite different from the ferromagnetic (FM) case, adiabaticity in AFM texture does not imply perfect alignment of…
The nonadiabatic electron-phonon corrections for the superconducting pairing are investigated for a specific tight-binding model corresponding to a 2d square lattice. This permits to investigate the role of various specific properties like…
The elastic, thermodynamic, electronic, and optical properties of recently discovered and potentially technologically important transition metal boride NbRuB, have been investigated using the density functional formalism. Both generalized…
Physical explanation of hyperconductivity and thermal superconductivity existence is done in given article on the basis of inherent atomic nuclei oscillations in atoms of materials which are connected with electrons and phonons and in…
The renormalization of electronic eigenenergies due to electron-phonon interactions (temperature dependence and zero-point motion effect) is important in many materials. We address it in the adiabatic harmonic approximation, based on first…
We study the role of non-adiabatic Holstein electron-phonon coupling on the neutral-ionic phase transition of charge transfer crystals which can be tuned from continuous to discontinuous, using exact numerical diagonalization. The variation…
Under sufficiently high electric field gradients, electron behaviour within exactly perpendicular shocks is unstable to the so-called trajectory instability. We extend previous work paying special attention to shortiscale, high amplitude…
We calculate the adiabatic contributions to the free energy due to the electron--phonon interaction at intermediate temperatures, $0 \leqslant k_{B} T < \epsilon_{F}$ for the elemental metals Na, K, Al, and Pb. Using our previously…
The nonadiabatic regime of the electron-phonon interaction leads to behaviors of some physical measurable quantities qualitatively different from those expected from the Migdal-Eliashberg theory. Here we identify in the Pauli paramagnetic…
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…
The electronic behavior of various solid metals (Al, Ni, Cu, Au, Ti, and W) under ultrashort laser irradiation is investigated by means of density functional theory. Successive stages of extreme nonequilibrium on picosecond time scale…
Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem by first constructing high-dimensional neural network…
Understanding the physics of structurally and chemically complex transition-metal oxide and polyanionic materials such as those used for battery electrodes is challenging, even at the level of pristine compounds. Yet these materials are…
Out-of-equilibrium electron-gas systems exhibit rich physics, which we explore through three problems. First, we study photoemission from metals, traditionally analyzed in the frequency domain. Unexpectedly, the photoemission rate…
We investigate effects of a nonadiabatic electron-phonon(boson) interaction on the quasiparticle self-energy in the lowest order in the coupling constant. Existing approaches either overestimate, or underestimate these effects because of…