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Linear muffin-tin-orbital and k ⋅ p calculations of effective masses and band structure of semiconducting diamond

✍ Scribed by Willatzen, M.; Cardona, M.; Christensen, N. E.


Book ID
120564013
Publisher
The American Physical Society
Year
1994
Tongue
English
Weight
311 KB
Volume
50
Category
Article
ISSN
1098-0121

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Full-potential linear muffin-tin orbital
✍ I.G. Batirev; K.H. Lee; W.R. Lee; H.M. Lee; J.A. Leiro 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 350 KB

Atomic force calculations and the optimization of atomic structure in the ground state have been made in the cluster version of the full-potential linear muffin-tin orbital method. Relaxation along atomic forces in the ground state enabled us to estimate the main parameters of the atomic structure a