First–Principles Calculations of Band Offsets in GaAs/AlAs System

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

Shojaei Seyed Hamid Reza; Oloumi Mahmoud

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Journal Paper

Paper Information

Journal: Progress in Physics of Applied Materials Year:2022 | Volume:2 | Issue:1 Page(s): 71-75

Download Full-Text

View:

Download:

Cites:

Information Journal Paper

Title

First–Principles Calculations of Band Offsets in GaAs/AlAs System

Author(s)

Shojaei Seyed Hamid Reza | Oloumi Mahmoud | Issue Writer Certificate

Keywords

Nanosemiconductors

density functional theory

Band discontinuities

Pseudopotential

Local density of States

Abstract

The lattice-matched system (GaAs)n/(AlAs)n superlattice is calculated for two different values of n=3 and 6 within ab initio Pseudopotential density-functional theory using Quantum Espresso package of program exploiting the ultra-soft atomic Pseudopotentials. Their band offsets, which is a well-known and inextricable problem at semiconductor interfaces, have been determined in this paper and were compared with experimental results. Discontinuities of valance and conduction bands were obtained as 0.46 and 0.25 eV, respectively. The averaged self-consistent potential across the [001] interface in GaAs is about 0.061 eV higher than its value in AlAs. The Local density of States for both superlattices was also studied. The effect of different factors e.g. orientation, transitivity, and composition dependence is reported in this study. We found that, in the [110] direction of GaAs/AlAs superlattice, the dependence of the band offset on the orientation is negligible. The calculated band gap of is linearly dependent on aluminum content.

Multimedia

No record.

Cites

No record.

References

No record.

Cite

Related Journal Papers

No record.

Related Seminar Papers

No record.

Related Plans