Molecular dynamics studies on vacancy-interstitial annihilation in silicon | Zendy

Qiao Yong-Hong | Zendy; Shaoqing Wang | Zendy

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Molecular dynamics studies on vacancy-interstitial annihilation in silicon

Author(s) -

Qiao Yong-Hong,

Shaoqing Wang

Publication year - 2005

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.54.4827

Subject(s) - vacancy defect , annihilation , molecular dynamics , silicon , materials science , dynamics (music) , chemical physics , condensed matter physics , nuclear physics , physics , quantum mechanics , optoelectronics , acoustics

Molecular dynamics (MD) simulation is performed to study the vacancy-interstitial annihilation in crystalline silicon. We choose the Stillinger-Weber potential , which is commonly used for silicon, to describe the interaction between atoms. The system is relaxed under 300K and 1400K respectively. We have found that is the preferred recombination direction and propose the presence of an energy barrier in the direction. From the calculated value of energy barrier alon g we give a reasonable explanation for the difference between Tang's and Z awadzki's data.

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