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Closing the bandgap for III-V nitrides toward mid-infrared and THz applications

P. F. Lu ; D. Liang ; Y. J. Chen ; C. F. Zhang ; R. G. Quhe ; Shumin Wang (Institutionen för mikroteknologi och nanovetenskap, Fotonik)
Scientific Reports (2045-2322). Vol. 7 (2017), p. Art. no 10594.
[Artikel, refereegranskad vetenskaplig]

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.

Denna post skapades 2017-09-25. Senast ändrad 2017-10-10.
CPL Pubid: 252044


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