2019
DOI: 10.1103/physrevmaterials.3.124003
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Lattice vibrations and electronic properties of GaSe nanosheets from first principles

Abstract: Electronic properties and lattice dynamics of bulk ε-GaSe and one, two and three tetralayers GaSe are investigated by means of density functional and density functional perturbation theory. The fewtetralayers 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.… Show more

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Cited by 6 publications
(5 citation statements)
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“…Raman spectra of GaSe flakes with different NLs are recorded under a 532 nm excitation. In the range of 100–400 cm –1 , three prominent Raman modes, A 1 1 mode (∼132 cm –1 ), E 1 ′ (TO mode, 210 cm –1 ) mode, and A 1 4 mode (305 cm –1 ), are observed, which are attributed to the in-plane and out-of-plane vibrations of gallium and selenide atoms, respectively. As seen in Figure b, the intensities of Raman modes in GaSe flakes exhibit a strong NL dependence, whose intensities rise to a peak at NL = 19 and then show a prominent second oscillatory peak at NL = 108. This NL dependence in Raman intensity is originated from the interference effect in a multilayer system as described in our previous studies. , The schematic images of atomic displacements of those modes are given in Figure c.…”
Section: Results and Discussionmentioning
confidence: 91%
“…Raman spectra of GaSe flakes with different NLs are recorded under a 532 nm excitation. In the range of 100–400 cm –1 , three prominent Raman modes, A 1 1 mode (∼132 cm –1 ), E 1 ′ (TO mode, 210 cm –1 ) mode, and A 1 4 mode (305 cm –1 ), are observed, which are attributed to the in-plane and out-of-plane vibrations of gallium and selenide atoms, respectively. As seen in Figure b, the intensities of Raman modes in GaSe flakes exhibit a strong NL dependence, whose intensities rise to a peak at NL = 19 and then show a prominent second oscillatory peak at NL = 108. This NL dependence in Raman intensity is originated from the interference effect in a multilayer system as described in our previous studies. , The schematic images of atomic displacements of those modes are given in Figure c.…”
Section: Results and Discussionmentioning
confidence: 91%
“…The Raman peaks are consistent with the data reported in the literature. [39][40][41] The A 1g peaks with the highest intensity are the result of vibrations occurring out-of-plane, whereas the remaining peaks are the result of vibrations occurring in the crystal plane. Figure 1d presents a schematic cross-sectional view of a back gated GaSe FET with its electrical connections.…”
Section: Resultsmentioning
confidence: 99%
“…Two-dimensional (2D) layered materials such as post-transition metal chalcogenides (PTMCs) M III − X (M III = In, Al, Ga and X = Se, Te, S) semiconductors are promising for electronic applications due to intriguing optical and vibrational properties [1][2][3][4] , including bandgap tunability from the IR to the UV spectral range and direct to indirect gap crossover as the number of layers decreases 5,6 , inverted sombrero like valence band dispersion for few layers 7,8 , and strong excitonic absorption 9,10 . Among these, GaTe exhibits two crystalline phases: a thermodynamically stable monoclinic (m-GaTe) 11 and a metastable hexagonal (h-GaTe) 12 , as shown by the bilayer (BL) stacking of Fig.…”
Section: Introductionmentioning
confidence: 99%