Pseudo-Hydrogen Passivation: A Novel Way to Calculate Absolute Surface Energy of Zinc Blende (111)/((¯)1 (¯)1 (¯)1) Surface

Determining accurate absolute surface energies for polar surfaces of semiconductors has been a great challenge in decades. Here, we propose pseudo-hydrogen passivation to calculate them, using density functional theory approaches. By calculating the energy contribution from pseudo-hydrogen using eit...

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Detalles Bibliográficos
Autores principales: Zhang, Yiou, Zhang, Jingzhao, Tse, Kinfai, Wong, Lun, Chan, Chunkai, Deng, Bei, Zhu, Junyi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4810009/
https://www.ncbi.nlm.nih.gov/pubmed/26831640
http://dx.doi.org/10.1038/srep20055

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4810009/
https://www.ncbi.nlm.nih.gov/pubmed/26831640
http://dx.doi.org/10.1038/srep20055

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