Electronic charge transfer contribution in adsorption of silicon at the SiC(0001) surface—A density functional theory (DFT) study
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- 作者：Jakub Sołtysa ; Jacek Piechotaa ; Paweł Strakb ; Stanisław Krukowskia ; b ; stach@unipress.waw.pl" class="auth_mail" title="E-mail the corresponding author ; stach@icm.edu.pl" class="auth_mail" title="E-mail the corresponding author
- 关键词：Silicon carbide ; Adsorption ; Surface
- 刊名：Applied Surface Science
- 出版年：2017
- 出版时间：30 January 2017
- 年：2017
- 卷：393
- 期：Complete
- 页码：168-179
- 全文大小：4583 K
文摘
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Si is adsorbed at H3 position of SiC(00001) surface at low coverage.
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Si adsorption energy is 7.1 eV, 6.7 eV and 5.0 eV for clean and below and above 0.25 ML Si coverage.
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For Si coverage above 0.4 ML adsorption energy is 4.0 eV for both H3 and on-top positions.
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Si pressure for Lely process corresponds to 0.3 ML Si coverage.