Session A39: Focus Session: Materials in Extremes: Theory and Simulations

8:00 AM–11:00 AM, Monday, March 18, 2013
Room: 348

Sponsoring Units: GSCCM DCOMP DMP
Chair: Aleksey Kolmogorov, Binghamton University-SUNY

Abstract ID: BAPS.2013.MAR.A39.9

Abstract: A39.00009 : Atomistic and first principles studies of Si nanoparticles under pressure

10:00 AM–10:12 AM

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  Maria Chan
    (Argonne National Laboratory)

  Daniel Hannah
    (Northwestern University)

  Richard Schaller
    (Argonne National Laboratory)

In this talk, we will discuss the structural, optical and electronic properties of silicon nanoparticles under high pressure, obtained using a combination of classical molecular dynamics and first principles density functional theory calculations. The results will be corroborated with experimental findings.

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