Band Gap Calculations of Ternary InN_{0.03125}P_{0.96875} Alloy |

M. Ustundag, B.G. Yalcin, S. Bagci and M. Aslan
Sakarya University, Department of Physics, Sakarya, Turkey |

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In the current study, structural and electronic properties of ternary dilute nitride InN_{x}P_{1-x} alloys have been investigated by using density functional theory. The equilibrium lattice parameter of studied material has been calculated in zinc-blende phase. 2 × 2 × 2 supercell with 64 atoms has been used for calculations. The lattice parameter of InN_{0.03125}P_{0.96875} alloy is found to be 5.852 Å. By means of the equilibrium lattice parameter, electronic band structure has been calculated for dilute 3.125% nitride composition. It is found that a ternary InN_{0.03125}P_{0.96875} alloy is a direct band gap semiconductor with energy band gap of 1.198 eV. |

DOI: 10.12693/APhysPolA.128.B-135 PACS numbers: 71.55.Ak, 71.15.Mb, 03.75.Hh, 71.90.+q |