Electron-phonon coupling and electron heat capacity of metals under conditions of strong electron-phonon nonequilibrium
نویسندگان
چکیده
The dependence of the strength of the electron-phonon coupling and the electron heat capacity on the electron temperature is investigated for eight representative metals, Al, Cu, Ag, Au, Ni, Pt, W, and Ti, for the conditions of strong electron-phonon nonequilibrium. These conditions are characteristic of metal targets subjected to energetic ion bombardment or short-pulse laser irradiation. Computational analysis based on first-principles electronic structure calculations of the electron density of states predicts large deviations up to an order of magnitude from the commonly used approximations of linear temperature dependence of the electron heat capacity and a constant electron-phonon coupling. These thermophysical properties are found to be very sensitive to details of the electronic structure of the material. The strength of the electron-phonon coupling can either increase Al, Au, Ag, Cu, and W , decrease Ni and Pt , or exhibit nonmonotonic changes Ti with increasing electron temperature. The electron heat capacity can exhibit either positive Au, Ag, Cu, and W or negative Ni and Pt deviations from the linear temperature dependence. The large variations of the thermophysical properties, revealed in this work for the range of electron temperatures typically realized in femtosecond laser material processing applications, have important implications for quantitative computational analysis of ultrafast processes associated with laser interaction with metals.
منابع مشابه
The Role of Thermal Excitation of D Band Electrons in Ultrafast Laser Interaction With Noble (Cu) and Transition (Pt) Metals
The temperature dependences of the electron heat capacity and electron-phonon coupling factor for noble (Cu) and transition (Pt) metals are investigated based on the electron density of states (DOS) obtained from ab initio electronic structure calculations. For Cu, d band electrons could be thermally excited when the electron temperature exceeds ~3000 K, leading to a significant increase, up to...
متن کاملBias-Induced Optical Absorption of Current Carrying Two-Orbital Quantum Dot with Strong Electron-Phonon Interaction (Polaron Regime)
The one photon absorption (OPA) cross section of a current carrying two-orbital quantum dot (QD) with strong electron-phonon interaction (polaron regime) is considered. Using the self-consistent non-equilibrium Hartree-Fock (HF) approximation, we determine the dependence of OPA cross section on the applied bias voltage, the strength of effective electron-electron interaction, and level spacing ...
متن کاملKinetic limit of heterogeneous melting in metals.
The velocity and nanoscale shape of the melting front are investigated in a model that combines the molecular dynamics method with a continuum description of the electron heat conduction and electron-phonon coupling. The velocity of the melting front is strongly affected by the local drop of the lattice temperature, defined by the kinetic balance between the transfer of thermal energy to the la...
متن کاملAb initio analysis of electron-phonon coupling in molecular devices.
We report a first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based on carrying out density functional theory within the Keldysh nonequilibrium Green's function formalism. Using a molecular tunnel junction of a 1,4-benzenedithiolate molecule contacted by two aluminum leads as...
متن کاملTemperature dependences of the electron–phonon coupling, electron heat capacity and thermal conductivity in Ni under femtosecond laser irradiation
The electron temperature dependences of the electron–phonon coupling factor, electron heat capacity and thermal conductivity are investigated for Ni in a range of temperatures typically realized in femtosecond laser material processing applications, from room temperature up to temperatures of the order of 10 K. The analysis is based on the electronic density of states obtained through the elect...
متن کامل