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Electronic and structural properties of GaN by the full-potential linear muffin-tin orbitals method: The role of the d electrons

✍ Scribed by Fiorentini, Vincenzo; Methfessel, Michael; Scheffler, Matthias


Book ID
121435797
Publisher
The American Physical Society
Year
1993
Tongue
English
Weight
751 KB
Volume
47
Category
Article
ISSN
1098-0121

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A full-potential linear-muffin-tin-orbit
✍ Bao-xing Li; Min Qiu; Pei-lin Cao πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 155 KB

Using the full-potential linear-muffin-tin-orbital molecular-dynamics FP-LMTO-MD method, we have performed calculations on the structures and energies of the small silicon cluster Si . Fourteen stable structures for the Si cluster have 9 9 been obtained, including all the five structures ever repor