Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1515684 | Journal of Physics and Chemistry of Solids | 2015 | 8 Pages |
Abstract
•The anisotropy of P3m1-BCN have been studied.•P3m1-BCN is an indirect semiconductor.•The band gap increases with pressure increasing.
The mechanical and electronic properties of P3m1-BCN have been studied by using first principles calculations. The anisotropy studies of Young's modulus, shear modulus and Poisson's ratio show that P3m1-BCN exhibits a large anisotropy. Electronic structure study shows that P3m1-BCN is an indirect semiconductor with band gap of 4.10 eV. Unusually, the band gap of P3m1-BCN increase with increasing pressure.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
Qingyang Fan, Qun Wei, Changchun Chai, Haiyan Yan, Meiguang Zhang, Zhengzhe Lin, Zixia Zhang, Junqin Zhang, Dongyun Zhang,