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2015 | 128 | 2B | B-135-B-137
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Band Gap Calculations of Ternary InN_{0.03125}P_{0.96875} Alloy

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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.
  • Sakarya University, Department of Physics, Sakarya, Turkey
  • Sakarya University, Department of Physics, Sakarya, Turkey
  • Sakarya University, Department of Physics, Sakarya, Turkey
  • Sakarya University, Department of Physics, Sakarya, Turkey
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