Extension of the LDA-1/2 method to the material class of bismuth containing III–V semiconductors
AffiliationUniv Arizona, Wyant Coll Opt Sci
MetadataShow full item record
PublisherAMER INST PHYSICS
CitationLiebscher, S. C., Bannow, L. C., Hader, J., Moloney, J. V., & Koch, S. W. (2020). Extension of the LDA-1/2 method to the material class of bismuth containing III–V semiconductors. AIP Advances, 10(11), 115003.
Rights© 2020 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
Collection InformationThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at firstname.lastname@example.org.
AbstractThe local density approximation-1/2 method is employed in density functional theory calculations for the electronic structure of III-V dilute bismide systems. For the representative example of Ga(SbBi) with Bi concentrations below 10%, it is shown that this method works very efficiently, especially due to its reasonably low demand on computer memory. The resulting band structure and wavefunctions are used to compute the interaction matrix elements that serve as input to the microscopic calculations of the optical properties and intrinsic losses relevant for the optoelectronic applications of dilute bismides.
NoteOpen access article
VersionFinal published version
Except where otherwise noted, this item's license is described as © 2020 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).