ArticleRSC advances2026
Hybrid density functional study of strain-engineered III-V semiconductors and monolayer InSe.
Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Accurate prediction of strain-dependent semiconductor properties requires reliable exchange-correlation treatments and a unified understanding of bulk and two-dimensional materials. Here, we investigate strain-engineered bulk AlP, AlSb, and monolayer InSe under biaxial strains from -6% to +6% using the Perdew-Burke-Ernzerhof (PBE) and Heyd-Scuseria-Ernzerhof (HSE06) functionals. HSE06 significantly improves structural accuracy, reducing the mean absolute deviation in lattice parameters from 1.47% to 0.39%. Biaxial strain lowers the symmetry of bulk AlP and AlSb from cubic zinc blende to tetragonal structures, whereas monolayer InSe retains its hexagonal symmetry. Phonon spectra and
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