Electronic Structure Analyses of BN in Cubic and Hexagonal Phases

Abstract:

First principle calculations are performed on the structure, energy band gap, and dielectric properties of wurtzite and hexagonal BN by using a plane-wave pseudopotential method. It is found that h-BN has much narrower VB (valence band ) width and much sharper band edge than those of w-BN. And the N 2s states of the two phases of BN are dominant below 30.03 eV and the N 2p states are dominant in the range between −20.62 and 20.32 eV.

• Periodical: Advanced Materials Research (Volumes 268-270)
• Pages: 1-3
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.268-270.1
• Online since: July 2011
• Authors: Ting Zhang, Ming He, Tao Chen, Guang Chang Wang
• Keywords: Density of States (DOS), Energy Gap

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