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Article Dans Une Revue Physical Review Materials Année : 2019

Lattice vibrations and electronic properties of GaSe nanosheets from first principles

Mousa Bejani
  • Fonction : Auteur
Olivia Pulci
  • Fonction : Auteur
Jamal Barvestani
  • Fonction : Auteur
Ali Soltani Vala
  • Fonction : Auteur

Résumé

Electronic properties and lattice dynamics of bulk ɛ-GaSe and one, two, and three tetralayers GaSe are investigated by means of density functional and density functional perturbation theory. The few-tetralayer 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 branch 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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Dates et versions

hal-02159461 , version 1 (07-09-2023)

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Mousa Bejani, Olivia Pulci, Jamal Barvestani, Ali Soltani Vala, Friedhelm Bechstedt, et al.. Lattice vibrations and electronic properties of GaSe nanosheets from first principles. Physical Review Materials, 2019, 3, pp.124003. ⟨10.1103/PhysRevMaterials.3.124003⟩. ⟨hal-02159461⟩

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