Strain-assisted band gap modulation in intrinsic and aluminum doped p-type SiC

The uniaxial strain-induced electronic structure variations in intrinsic and Al doped (3C-, 4H-) SiC are studied by using first-principle calculations. The main findings are summarized as follows: (I) the tensile strain leads to a structural transformation in Al doped 3C-SiC, which is signed by the...

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Bibliographic Details
Main Authors: Sihao Deng, Lielin Wang, Hua Xie, Zaihong Wang, Yutian Wang, Shuqing Jiang, Hui Guo
Format: Article
Language:English
Published: AIP Publishing LLC 2018-07-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.5025574
Description
Summary:The uniaxial strain-induced electronic structure variations in intrinsic and Al doped (3C-, 4H-) SiC are studied by using first-principle calculations. The main findings are summarized as follows: (I) the tensile strain leads to a structural transformation in Al doped 3C-SiC, which is signed by the total energy and lattice characteristics; (II) the band gap Eg modulation with large reductions is achieved by applying strains up to 2% in all compounds; (III) The high-symmetry points of valence band maximum and conduction band minimum in intrinsic and Al doped 4H-SiC show the abnormal characteristic under strain, corresponding to the maximum Eg as the strain is ∼-1%. These results suggest that the strain approach could be used to tune the electronic structures of SiC compounds.
ISSN:2158-3226