Lattice vibrations and electronic properties of GaSe nanosheets from first principles

Abstract

Electronic properties and lattice dynamics of bulk $\epsilon$-GaSe and mono-, bi- and tri-tetralayer GaSe are investigated by means of density functional and density functional perturbation theory. The few-tetralayers systems are semiconductors with an indirect nature of the fundamental band gap and a Mexican-hat-shape is observed at the top of the valence band. The phonon branches analysis reveals the dynamical stability for all systems considered together with the LO-TO splitting breakdown in two-dimensional systems. In-plane (E) and out-of-plane (A) zone-center lattice vibrations dominate the Raman and IR spectra.

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Cited by in corpus (1)

• Coulomb drag in metal monochalcogenides double-layer structures with Mexican-hat band dispersions