Closing the bandgap for III-V nitrides toward mid-infrared and THz applications
Artikel i vetenskaplig tidskrift, 2017

A theoretical study of InNBi alloy by using density functional theory is presented. The results show non-linear dependence of the lattice parameters and bulk modulus on Bi composition. The formation energy and thermodynamic stability analysis indicate that the InNBi alloy possesses a stable phase over a wide range of intermediate compositions at a normal growth temperature. The bandgap of InNBi alloy in Wurtzite (WZ) phase closes for Bi composition higher than 1.5625% while that in zinc-blende (ZB) phase decreases significantly at around 356 meV/%Bi. The Bi centered ZB InNBi alloy presents a change from a direct bandgap to an indirect bandgap up to 1.5625% Bi and then an oscillates between indirect bandgap and semi-metallic for 1.5625% to 25% Bi and finally to metallic for higher Bi compositions. For the same Bi composition, its presence in cluster or uniform distribution has a salient effect on band structures and can convert between direct and indirect bandgap or open the bandgap from the metallic gap. These interesting electronic properties enable III-nitride closing the bandgap and make this material a good candidate for future photonic device applications in the mid-infrared to THz energy regime.

Författare

P. F. Lu

Beijing University of Posts and Telecommunications (BUPT)

Beijing Computational Science Research Center

D. Liang

Beijing University of Posts and Telecommunications (BUPT)

Y. J. Chen

Beijing University of Posts and Telecommunications (BUPT)

C. F. Zhang

Beijing Computational Science Research Center

R. G. Quhe

Beijing University of Posts and Telecommunications (BUPT)

Shu Min Wang

Chalmers, Mikroteknologi och nanovetenskap (MC2), Fotonik

Scientific Reports

2045-2322 (ISSN)

Vol. 7 1 Art. no 10594- 10594

Ämneskategorier

Nanoteknik

Metallurgi och metalliska material

DOI

10.1038/s41598-017-11093-4

Mer information

Senast uppdaterat

2018-05-23