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Theoretical Study of Some Electronic Properties of Boron Nitride-Graphene Hetero-Structure: using Ab-Initio | ||
| Journal of Kufa - physics | ||
| Article 1, Volume 7, Issue 2, 2015, Pages 75-80 | ||
| Authors | ||
| Haidar A. Marhoon; Hayder M. Abduljalil | ||
| Abstract | ||
| We present a study of some electronic properties of Boron Nitride-embedded in graphene to simulate a new class of material which is Boron Nitride-graphene hetero-structure. By employing the SIESTA and GOLLUM Programs, we calculated the most understandable features which are the electronic properties. We calculated the Number of Open Channels (NOC), Density of States (DOS) , we investigate the current-voltage curve also we found that the Boron Nitride has non-trivial effect on the energy gap ‘Eg’ size of graphene (zero-gap). Varying the number of hexagon ring layers of graphene (from one layer to five layers) in the horizontal direction (Z-axis) with one fixed hexagon ring layer of graphene in the vertical direction (Y-axis) led to open the energy gap ‘Eg’ of graphene from 0.0 eV to approximately 0.95 eV. This might be a reliable method to engineer and control the energy gap ‘Eg‘ and manipulating the behaviour of the hetero-structure from conductor to semiconductor. | ||
| Keywords | ||
| Graphene; Boron Nitride; number of open channels; hetero; structure | ||
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