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Structural and electronic properties of h -BN

✍ Scribed by Liu, Lei; Feng, Y. P.; Shen, Z. X.


Book ID
120215460
Publisher
The American Physical Society
Year
2003
Tongue
English
Weight
589 KB
Volume
68
Category
Article
ISSN
1098-0121

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Electronic and structural properties of
✍ R. Mota; P. Piquini; T. M. Schmidt; A. Fazzio πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 236 KB πŸ‘ 2 views

Using a molecular cluster with 71 atoms, we studied the electronic and structural properties of nitrogen vacancy, boron antisite, and oxygen in cubic boron nitride through an ab initio Hartree᎐Fock calculation. We found that all defects introduce a deep state above the middle-energy gap. These defec