THE CALCULATION OF THE SURFACE ENERGY OF HIGH-INDEX SURFACES OF SILICON AT ZERO TEMPERATURE

Sanjun Wang (), Youlin Song, Xianlin Zhao, Xianjun Wang, Jinhai Liu, Jinming Li and Yu Jia
Additional contact information
Sanjun Wang: Department of Physics, Henan Institute of Education, Zhengzhou 450014, China
Youlin Song: Department of Physics, Henan Institute of Education, Zhengzhou 450014, China;
Xianlin Zhao: Department of Physics, Henan Institute of Education, Zhengzhou 450014, China
Xianjun Wang: Department of Physics, Henan Institute of Education, Zhengzhou 450014, China
Jinhai Liu: Department of Physics, Henan Institute of Education, Zhengzhou 450014, China
Jinming Li: Department of Physics, Henan Institute of Education, Zhengzhou 450014, China
Yu Jia: School of Physics Science and Technology, Key Laboratory of Materials Physics Ministry of Education of China, Zhengzhou University, Zhengzhou 450052, China

Surface Review and Letters (SRL), 2006, vol. 13, issue 06, 841-846

Abstract: We used the molecular dynamics simulation based on the Stillinger–Weber (SW) interatomic potential to calculate the high-index surface energies of surfaces containing any of the stereographic surfaces of silicon at zero temperature. An empirical formula based on the structural unit model was generalized for high-index surfaces. Our simulated results show that the generalized formula can give a good estimation of the surface energy and structural feature of the high-index surfaces not only on the edge of stereographic but also within it. Our simulation and empirical formula results reveal that the closest surface has the lowest energy, so the closest (101) surface has the lowest surface energy and the (101), (111) and (001) surfaces are the extremum on the curve of surface energy versus orientation angle. Both the theoretical simulation results and the empirical formula calculation results are consistent with the available first-principles theoretical data.

Keywords: Silicon; high index single crystal surfaces; surface energy; molecular dynamics (search for similar items in EconPapers)
Date: 2006
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.worldscientific.com/doi/abs/10.1142/S0218625X0600892X
Access to full text is restricted to subscribers

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:wsi:srlxxx:v:13:y:2006:i:06:n:s0218625x0600892x

Ordering information: This journal article can be ordered from

DOI: 10.1142/S0218625X0600892X

Access Statistics for this article

Surface Review and Letters (SRL) is currently edited by S Y Tong

More articles in Surface Review and Letters (SRL) from World Scientific Publishing Co. Pte. Ltd.
Bibliographic data for series maintained by Tai Tone Lim ().