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Journal Article

First-principles calculations for attosecond electron dynamics in solids


Sato,  S.
Center for Computational Sciences, University of Tsukuba;
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Sato, S. (2021). First-principles calculations for attosecond electron dynamics in solids. Computational Materials Science, 194: 110274. doi:10.1016/j.commatsci.2020.110274.

Cite as: https://hdl.handle.net/21.11116/0000-0008-CD40-9
Nonequilibrium electron dynamics in solids is an important subject from both fundamental and technological points of view. The recent development of laser technology has enabled us to study ultrafast electron dynamics in the time domain. First-principles calculation is a powerful tool for analyzing such complex electron dynamics and clarifying the physics behind the experimental observation. In this article, we review the recent development of the first-principles calculation for light-induced electron dynamics in solids by revising its application to recent attosecond experiments. The electron dynamics calculations offer an accurate description of static and transient optical properties of solids and provide physics insight into light-induced electron dynamics. Furthermore, the microscopic decomposition of transient properties of nonequilibrium systems has been developed to extract microscopic information from the simulation results. The first-principles analysis opened a novel path to analyze the nonequilibrium electron dynamics in matter and to provide the fundamental understanding complementarily with the sophisticated experimental technique.