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Tunable electronic properties of InSe by biaxial strain: from bulk to single-layer

Journal: Materials Research Express
Author: Khang D. Pham

In the present work, we consider the electronic properties ofbulk and single-layer InSe using the density functional theory. Our calculations show that at the equilibrium state, the single-layer InSe is a semiconductor with an indirect energybandgap of1.382 1 eV, nearly twice the bandgap ofbulk InSe. Focusing on the effect ofbiaxial strain εb on electronic properties ofsingle-layer InSe, our calculated results indicate that tensile biaxial strain changes slightly the valence subbands near Fermi level, while the band structure ofthe single-layer InSe depends tightlyon the compressive biaxial strain. Also, the energygap ofthe single-layer InSe depends almost linearlyon the εb. However, the energygap tends to increase slowlywhen the large compressive biaxial strain is applied. We believe that the control ofthe energygap ofthe single-layer InSe by strain engineering can be useful in its application in nanoelectromechanical systems and nanoelectronic devices.