Ab initio model of optical properties of two-temperature warm dense matter

Abstract

We present a model to describe thermophysical and optical properties of two-temperature systems consisted of heated electrons and cold ions in a solid lattice that occur during ultrafast heating experiments. Our model is based on ab initio simulations within the framework of density functional theory. The optical properties are obtained by evaluating the Kubo-Greenwood formula. By applying the material parameters of our ab initio model to a two-temperature model we are able to describe the temperature relaxation process of femtosecond-laser-heated gold and its optical properties within the same theoretical framework. Recent time-resolved measurements of optical properties of ultrafast heated gold revealed the dynamics of the interaction between femtosecond laser pulses and solid state matter. Different scenarios obtained from simulations of our study are compared with experimental data [Chen, Holst, Kirkwood, Sametoglu, Reid, Tsui, Recoules, and Ng, Phys. Rev. Lett. 110, 135001 (2013)].

References in corpus (9)

• Electron-phonon interactions and related physical properties of metals from linear-response theory
• Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen
• Large scale ab initio calculations based on three levels of parallelization
• The bandstructure of gold from many-body perturbation theory
• Linear-Response Calculation of Electron-Phonon Coupling Parameters
• The static and dynamic conductivity of warm dense Aluminum and Gold calculated within a density functional approach
• Observation of inhibited electron-ion coupling in strongly heated graphite
• The Static, Dynamic and Electronic Properties of Liquid Gallium Studied by First-Principles Simulation
• Gallium transformation under femtosecond laser excitation: Phase coexistence and incomplete melting

Cited by in corpus (13)

• Electron-phonon coupling in metals at high electronic temperatures
• Ultrafast dynamics of electrons and phonons: from the two-temperature model to the time-dependent Boltzmann equation
• Wavelength-dependent reflectivity changes on gold at elevated electronic temperatures
• Ab initio determination of effective electron-phonon coupling factor in copper
• Understanding XANES spectra of two-temperature warm dense copper using ab initio simulation
• A Molecular Dynamics Study of Laser-Excited Gold
• Towards Large-Scale and Spatio-temporally Resolved Diagnosis of Electronic Density of States by Deep Learning
• Finite temperature density functional theory investigation to the nonequilibrium transient warm dense state created by laser excitation
• Continuum-atomistic simulation of picosecond laser heating of copper with electron heat capacity from ab initio calculation
• Excitation and Relaxation of Nonthermal Electron Energy Distributions in Metals with Application to Gold
• An adaptive model for the optical properties of excited gold
• Non-ionizing cross section of electron scattering on atoms in matter accounting for dynamical screening effect
• Enhanced superconductivity in atomically thin noble metals: From quantum confinement to interface-induced Lifshitz transition