Ab initio evidence for nonthermal characteristics in ultrafast laser melting

Lian, Chao; Zhang, S. B.; Meng, Sheng

doi:10.1103/physrevb.94.184310

Title: Ab initio evidence for nonthermal characteristics in ultrafast laser melting

Journal Article · Mon Nov 28 00:00:00 EST 2016 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.94.184310· OSTI ID:1535789

Lian, Chao ^[1]; Zhang, S. B. ^[2]; Meng, Sheng ^[3]

Chinese Academy of Sciences (CAS), Beijing (China)
Rensselaer Polytechnic Inst., Troy, NY (United States)
Chinese Academy of Sciences (CAS), Beijing (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)

Laser melting of semiconductors has been observed for almost 40 years; surprisingly, it is not well understood where most theoretical simulations show a laser-induced thermal process. Ab initio nonadiabatic simulations based on real-time time-dependent density functional theory reveal intrinsic nonthermal melting of silicon, at a temperature far below the thermal melting temperature of 1680 K. Both excitation threshold and time evolution of diffraction intensity agree well with experiment. Nonthermal melting is attributed to excitation-induced drastic changes in bonding electron density, and the subsequent decrease in the melting barrier, rather than lattice heating as previously assumed in the two-temperature models.

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Research Organization:: Rensselaer Polytechnic Inst., Troy, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0002623

OSTI ID:: 1535789

Alternate ID(s):: OSTI ID: 1333585

Journal Information:: Physical Review. B, Vol. 94, Issue 18; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 6 works

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