TY - JOUR
T1 - Effects of N on Electronic and Mechanical Properties of H-Type SiC
AU - Liu, Yun Fang
AU - Cheng, Lai Fei
AU - Zeng, Qing Feng
AU - Zhang, Li Tong
N1 - Publisher Copyright:
©2015 Chinese Physical Society and IOP Publishing Ltd.
PY - 2015/8/1
Y1 - 2015/8/1
N2 - Structural, electronic and mechanical properties of the nH-SiC (n = 2, 4, 6, 8 and 10) polytypes are calculated by using the first-principles calculations based on the density-functional theory approach. The optimized lattice parameters of nH-SiC are in good agreement with the experimental data. The mechanical properties, including elastic constants, bulk modulus, Young's modulus, shear modulus and Poisson's ratio, are calculated. The analysis of elastic properties indicates that the effects of n on the mechanical properties of the five nH-SiC structures have no difference. The indirect band gap relationship for the five polytypes is Ebg2H > Ebg4H > Ebg6H > Ebg10H > Ebg8H.
AB - Structural, electronic and mechanical properties of the nH-SiC (n = 2, 4, 6, 8 and 10) polytypes are calculated by using the first-principles calculations based on the density-functional theory approach. The optimized lattice parameters of nH-SiC are in good agreement with the experimental data. The mechanical properties, including elastic constants, bulk modulus, Young's modulus, shear modulus and Poisson's ratio, are calculated. The analysis of elastic properties indicates that the effects of n on the mechanical properties of the five nH-SiC structures have no difference. The indirect band gap relationship for the five polytypes is Ebg2H > Ebg4H > Ebg6H > Ebg10H > Ebg8H.
UR - http://www.scopus.com/inward/record.url?scp=84938853616&partnerID=8YFLogxK
U2 - 10.1088/0256-307X/32/8/087103
DO - 10.1088/0256-307X/32/8/087103
M3 - 文章
AN - SCOPUS:84938853616
SN - 0256-307X
VL - 32
JO - Chinese Physics Letters
JF - Chinese Physics Letters
IS - 8
M1 - 087103
ER -