Closing the bandgap for III-V nitrides toward mid-infrared and THz applications
作者： Pengfei Lu , Dan Liang , Yingjie Chen , Chunfang Zhang , Ruge Quhe
DOI: 10.1038/S41598-017-11093-4
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摘要: A theoretical study of InNBi alloy by using density functional theory is presented. The results show non-linear dependence the lattice parameters and bulk modulus on Bi composition. formation energy thermodynamic stability analysis indicate that possesses a stable phase over wide range intermediate compositions at normal growth temperature. bandgap in Wurtzite (WZ) closes for composition higher than 1.5625% while zinc-blende (ZB) decreases significantly around 356 meV/%Bi. centered ZB presents change from direct to an indirect up then oscillates between semi-metallic 25% finally metallic compositions. For same composition, its presence cluster or uniform distribution has salient effect band structures can convert open gap. These interesting electronic properties enable III-nitride closing make this material good candidate future photonic device applications mid-infrared THz regime.
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