Band Gap Characterization of Ternary BBi1-xNx Alloys: A First-Principles Study

dc.contributor.authors	Yalcin, BG;
dc.date.accessioned	2020-01-20T08:02:16Z
dc.date.available	2020-01-20T08:02:16Z
dc.date.issued	2015
dc.identifier.citation	Yalcin, BG; (2015). Band Gap Characterization of Ternary BBi1-xNx Alloys: A First-Principles Study. ACTA PHYSICA POLONICA A, 128, B48-B46
dc.identifier.issn	0587-4246
dc.identifier.uri	https://hdl.handle.net/20.500.12619/32159
dc.identifier.uri	https://doi.org/10.12693/APhysPolA.128.B-46
dc.description.abstract	III-V based alloys and heterostructures have got 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 about the band gap properties of BBi1-xNx (0 <= x <= 1) ternary alloy in zinc-blende phase. The results of studied binary (BN and BBi) and ternary BBi1-xNx alloy structures are presented by means of density functional theory within the Wu-Cohen exchange correlation potential based on generalized gradient approximation. We have implemented geometric optimization before the volume optimization calculations for all studied alloys structure. The obtained equilibrium lattice constants of studied binary compounds are in coincidence with experimental works. The band gap character (direct/indirect or negative) of ternary BBi1-xNx alloys is also investigated.
dc.language	English
dc.publisher	POLISH ACAD SCIENCES INST PHYSICS
dc.subject	Physics
dc.title	Band Gap Characterization of Ternary BBi1-xNx Alloys: A First-Principles Study
dc.type	Proceedings Paper
dc.identifier.volume	128
dc.identifier.startpage	B46
dc.identifier.endpage	B48
dc.relation.journal	ACTA PHYSICA POLONICA A
dc.identifier.wos	WOS:000363011700011
dc.identifier.doi	10.12693/APhysPolA.128.B-46
dc.identifier.eissn	1898-794X