Ab–Initio large unit cell calculations of the electronic structure of Si and Ge nanocrystals
Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive en...
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| Format: | Article |
| Language: | English |
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University of Baghdad
2012-10-01
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| Series: | Iraqi Journal of Physics |
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| Online Access: | https://ijp.uobaghdad.edu.iq/index.php/physics/article/view/760 |