Electronic Structures of Strained InAs P_1- by Density Functional Theory

Area of Science:

• Materials Science
• Condensed Matter Physics
• Computational Materials Science

Background:

• Indium arsenide phosphide (InAsxP1-x) is a semiconductor alloy with tunable electronic properties.
• Strain engineering is a key method for modifying semiconductor behavior.
• Understanding strain effects is crucial for advanced electronic devices.

Purpose of the Study:

• To investigate the influence of uniaxial tensile strain on the electronic band structure of InAsxP1-x.
• To determine how strain affects the band gap and electron effective mass.
• To provide theoretical insights into the experimental behavior of InAs0.75P0.25 nanowires.

Main Methods:

• Utilized quantum mechanical density functional theory (DFT) calculations.
• Simulated wurtzite InAs0.75P0.25 under uniaxial tensile strain along the [0001] direction.
• Compared theoretical predictions with experimental measurements.

Main Results:

• The electronic band gap of InAs0.75P0.25 decreased with increasing uniaxial tensile strain.
• The electron effective mass also decreased under tensile strain.
• Calculated results showed good agreement with experimental data for InAs0.75P0.25 nanowires.

Conclusions:

• Uniaxial tensile strain enhances electron mobility in InAs0.75P0.25.
• Strain engineering offers a pathway to optimize electronic properties for device applications.
• DFT calculations are reliable for predicting strain-induced electronic property changes.