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First-Principles Calculations of Hydrogen-Terminated Si(100)2x1 Surface with Missing Dimers

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ISMANAM-2004

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Periodical:

Journal of Metastable and Nanocrystalline Materials (Volumes 24-25)

Pages:

245-248

DOI:

https://doi.org/10.4028/www.scientific.net/JMNM.24-25.245

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Online since:

September 2005

Authors:

Satoru Masatsuji, Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno

Keywords:

Density Function Theory (DFT), Local Density Approximation, Self-Assembled Surface, Structure Optimization, Total Energy Calculation

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© 2005 Trans Tech Publications Ltd. All Rights Reserved

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