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Atomic basis sets for first-principles studies of Si nanowires

✍ Scribed by Dimpy Sharma; Hadi Hassanian Arefi; Giorgos Fagas


Book ID
116380153
Publisher
Elsevier
Year
2012
Tongue
English
Weight
791 KB
Volume
991
Category
Article
ISSN
2210-271X

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First-principles study of doped Si and G
✍ H. Peelaers; B. Partoens; F.M. Peeters πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 208 KB

Using density functional theory we calculate the formation energies for B and P doped Si and Ge nanowires which are oriented in the [1 1 0] direction. First the preferential position for the dopants is calculated in fully passivated nanowires. It is found that the dopants prefer the edge or near edg