The interaction of neutral interstitial-vacancy, interstitial-interstitial, and vacancy-vacancy pairs in silicon is investigated using ab initio calculations. Large supercells of 216 and 512 atoms are used in order to avoid cell-size effects at defect separations up to 11.6 Å. For all three types of
✦ LIBER ✦
Ab initio pseudopotential calculations of point defects and boron impurity in silicon
✍ Scribed by Jing Zhu; L.H. Yang; C. Mailhiot; Tomás Diaz de la Rubia; G.H. Gilmer
- Book ID
- 113287632
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 397 KB
- Volume
- 102
- Category
- Article
- ISSN
- 0168-583X
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