2021
DOI: 10.1021/acs.cgd.1c00586
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Hidden State of Si50Ge50 Nanoparticles During Rapid Solidification

Abstract: The structure determines the property of materials, while observing the microstructure is a challenge in experiments. With molecular dynamics (MD) simulation, the solidification of Si50Ge50 nanoparticles is extensively investigated in terms of the potential energy, the pair distribution function, and several parameters based on the largest standard cluster analysis. It is found that Si50Ge50 nanodroplets is cooled into a crystal without element segregation through four stages, including the initial liquid, the… Show more

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Cited by 8 publications
(2 citation statements)
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References 29 publications
(44 reference statements)
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“…There is considerable interest in nanostructured materials from the group IV Si-Ge system for photonics applications [1][2][3][4][5][6][7][8][9][10]. However, the most important inconvenience of this system is the low light absorption-emission efficiency of bulk Si-Ge with an indirect band gap that counts against the long-held goal of integrated group IV photonics.…”
Section: Introductionmentioning
confidence: 99%
“…There is considerable interest in nanostructured materials from the group IV Si-Ge system for photonics applications [1][2][3][4][5][6][7][8][9][10]. However, the most important inconvenience of this system is the low light absorption-emission efficiency of bulk Si-Ge with an indirect band gap that counts against the long-held goal of integrated group IV photonics.…”
Section: Introductionmentioning
confidence: 99%
“…Figures 5(d) and (e) shows both structures, where red and blue atoms are the Ga and As elements, respectively. The stacking mode of cubic is ABCABC and hexagonal is ABABAB [23,36].…”
Section: Feature Structure Analysismentioning
confidence: 99%