Structural and Electronic Properties of Ternary Al_xIn_{1-x}P Alloys

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

Abstracts

EN

III-V based alloys and heterostructures have much attention due to their great device applications as well as for the development of electronic, optic and optoelectronic devices. Because of this reason, the present study reports an investigation of the structural optimization of ternary alloys Al_xIn_{1-x}P. Method of WIEN2k code is applied considering Wu-Cohen correlation energy functional based on density functional theory. We have constructed 1× 1× 1 supercell containing 8 atoms in zinc-blende structure. For all studied alloys structure, we have implemented geometric optimization before the volume optimization calculations. In this work, the structural and electronic properties of ternary alloys Al_xIn_{1-x}P are presented. The obtained equilibrium lattice constants of studied binary compounds are more compatible with experimental data compared to standard semilocal (LDA-PBE) calculations.

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-97-B-99

Dates

published

2015-8

Contributors

author

S. Bagci

• Sakarya University, Department of Physics, Sakarya, Turkey

author

B. Yalcin

• Sakarya University, Department of Physics, Sakarya, Turkey

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Identifiers

DOI

10.12693/APhysPolA.128.B-97