English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

The structural and electronic properties of zinc-blende (ZB) GaAs werecalculated within the framework of plane wave density-functional theory (DFT)code JDFTx by using Becke 86 in 2D and PBE exchange correlation functionalsfrom libXC. The standard optimized norm-conserving Vanderbilt pseudopotentialswere used to calculate optimized lattice constant, band gap and spin-orbitsplit-off parameter. The calculated values of optimized lattice constant anddirect band gap are in satisfactory agreement with other published theoreticaland experimental findings. By including spin-orbit (SO) coupling, conductionband and valence bands were studied under parabolicity to calculate effectivemasses. The calculated values of effective masses and spin-orbit split-offparameter are in satisfactory agreement with most recent findings. This workwill be useful for more computational studies related to semiconductorspintronic devices.

Application of k . p method on band structure of GaAs obtained through joint density functional theory