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• W3168322422 endingPage "110621" @default.
• W3168322422 startingPage "110621" @default.
• W3168322422 abstract "Investigation of different structural phases and phase transitions of silicon (Si) is important for both fundamental and technological interests. Here, through the first-principles calculations based on the time-dependent density-functional theory, we study high harmonic generation (HHG) driven by linearly polarized laser in four representative phases of Si along the phase transition path from Si-I (cubic diamond structure) to Si-II (body-centered tetragonal β-Sn structure), Si-II to Si-XII (R8) and to Si-III (body-centered cubic structure, BC8). We find that different Si phases exhibit significantly different HHG yield and distinct HHG mechanisms. Combining the advantage of being ultrafast pulse and the capability of retrieving electronic band structures, HHG in the condensed phase can be potentially useful for characterizing crystal structures and phase transition dynamics of Si and other materials." @default.
• W3168322422 created "2021-06-22" @default.
• W3168322422 creator A5005901099 @default.
• W3168322422 creator A5021471466 @default.
• W3168322422 creator A5078229270 @default.
• W3168322422 date "2021-09-01" @default.
• W3168322422 modified "2023-10-18" @default.
• W3168322422 title "High harmonic studies of structural phase transitions in silicon" @default.
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• W3168322422 doi "https://doi.org/10.1016/j.commatsci.2021.110621" @default.
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