Dynamical effects and vacancy motion in silicon at high temperature

Enrico Smargiassi; Roberto Car

doi:10.1142/S0129183196000065

Dynamical effects and vacancy motion in silicon at high temperature

Enrico Smargiassi, Roberto Car

Research output: Contribution to journal › Article › peer-review

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Abstract

We report a first-principles Molecular Dynamics investigation of the atomic motion in Silicon in the presence of an artificially created vacancy at high temperature (T ≥ 1200 K). We observe that atomic diffusion events are affected by strong dynamical correlations. At temperatures close to the melting point we discover characteristic premelting phenomena which involve simultaneous jumps of several atoms and introduce a large amount of disorder in the structure.

Original language	English (US)
Pages (from-to)	57-64
Number of pages	8
Journal	International Journal of Modern Physics C
Volume	7
Issue number	1
DOIs	https://doi.org/10.1142/S0129183196000065
State	Published - Jan 1 1996

All Science Journal Classification (ASJC) codes

Statistical and Nonlinear Physics
Mathematical Physics
Physics and Astronomy(all)
Computer Science Applications
Computational Theory and Mathematics

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10.1142/S0129183196000065

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title = "Dynamical effects and vacancy motion in silicon at high temperature",

abstract = "We report a first-principles Molecular Dynamics investigation of the atomic motion in Silicon in the presence of an artificially created vacancy at high temperature (T ≥ 1200 K). We observe that atomic diffusion events are affected by strong dynamical correlations. At temperatures close to the melting point we discover characteristic premelting phenomena which involve simultaneous jumps of several atoms and introduce a large amount of disorder in the structure.",

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AB - We report a first-principles Molecular Dynamics investigation of the atomic motion in Silicon in the presence of an artificially created vacancy at high temperature (T ≥ 1200 K). We observe that atomic diffusion events are affected by strong dynamical correlations. At temperatures close to the melting point we discover characteristic premelting phenomena which involve simultaneous jumps of several atoms and introduce a large amount of disorder in the structure.

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Dynamical effects and vacancy motion in silicon at high temperature

Abstract

All Science Journal Classification (ASJC) codes

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