Author

S. Naqib

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Open access Sep 2026

Hybrid density functional study of strain-engineered III–V semiconductors and monolayer InSe

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–Ern...

Md. Tanvir Ahmed, Maahi Sabah, Md Saiful Islam et al. · RSC Advances · 0 citations

Preprint Sep 2026

Nitrogen based electride superconductor Nb5Ir3N under pressure: multifunctional physical properties from DFT based first-principles investigation

Discovery and study of superconducting electrides have opened new avenues in condensed matter physics, driven by their intriguing multifunctional features spanning ambient and high-pressure regimes. This work investigates the ternary nitride superconductor Nb5Ir3N under pressure ranging from 0 to 20 GPa via density fun...

M. A. H. Shah, J. H. Abir, S. Naqib · 0 citations

Preprint Sep 2026

Phase Switchable Photocatalytic Water Splitting via a Paraelectric-Ferroelectric Transition in Zr2Ge2S6 Monolayer: A Comprehensive Theoretical Insights

Photocatalytic water splitting (PWS) is a promising technology for addressing the global energy crisis and producing renewable and clean hydrogen fuel. Although numerous 2D materials have recently been proposed as potential photocatalysts, effective strategies for regulating photocatalytic reactions and improving energ...

J. H. Abir, Tauhidur Rahman, Md. Tanvir Khan et al. · 0 citations