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

• Authors: M. Ustundag , B. Yalcin , S. Bagci , M. Aslan
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

71.55.Ak; 71.15.Mb; 03.75.Hh; 71.90.+q

Discipline

• 71.55.Ak: Metals, semimetals, and alloys
• 03.75.Hh: Static properties of condensates; thermodynamical, statistical, and structural properties
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections
• 71.90.+q: Other topics in electronic structure (restricted to new topics in section 71)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2015
• Volume: 128
• Issue: 2B
• Pages: B-135-B-137

Dates

published

2015-8

Contributors

author

M. Ustundag

• Sakarya University, Department of Physics, Sakarya, Turkey

author

B. Yalcin

• Sakarya University, Department of Physics, Sakarya, Turkey

author

S. Bagci

• Sakarya University, Department of Physics, Sakarya, Turkey

author

M. Aslan

• Sakarya University, Department of Physics, Sakarya, Turkey

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Identifiers

DOI

10.12693/APhysPolA.128.B-135