Symmetry, distorted band structure, and spin-orbit coupling of group-III metal-monochalcogenide monolayers

Li, Pengke; Appelbaum, Ian

doi:10.1103/physrevb.92.195129

Cited by 55 publications

(68 citation statements)

References 75 publications

(101 reference statements)

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“…2(a), inset]. Similar M-shaped dispersions have been observed in two-dimensional monochalcogenide semiconductors such as GaS and GaSe, and found to arise from interorbital interactions [40] 1 . This will lead to an enhanced density of states near the band edge, helping to explain the strong optical absorption and photoluminescence that this compound is known to possess [5].…”

Section: Resultssupporting

confidence: 54%

Narrow-band anisotropic electronic structure of ReS2

et al. 2017

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We have used angle-resolved photoemission spectroscopy to investigate the band structure of ReS 2 , a transitionmetal dichalcogenide semiconductor with a distorted 1T crystal structure. We find a large number of narrow valence bands, which we attribute to the combined influence of structural distortion and spin-orbit coupling. We further show how this leads to a strong in-plane anisotropy of the electronic structure, with quasi-one-dimensional bands reflecting predominant hopping along zigzag Re chains. We find that this does not persist up to the top of the valence band, where a more three-dimensional character is recovered with the fundamental band gap located away from the Brillouin zone center along k z . These experiments are in good agreement with our density-functional theory calculations, shedding light on the bulk electronic structure of ReS 2 , and how it can be expected to evolve when thinned to a single layer.

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Section: Resultssupporting

confidence: 54%

Narrow-band anisotropic electronic structure of ReS2

et al. 2017

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“…It is important to note that the highest electronic energy states at the valence band edge of BO shift away from the BZ center ( point) [59]. Earlier, these unusual double-peak band maxima have been theoretically predicted for ultrathin GaS nanosheets which have a thickness less than 5 monolayers [26].…”

Section: Electronic Structurementioning

confidence: 90%

Structural and electronic properties of monolayer group III monochalcogenides

et al. 2017

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We investigate the structural, mechanical, and electronic properties of the two-dimensional hexagonal structure of group III-VI binary monolayers, MX (M = B, Al, Ga, In and X = O, S, Se, Te) using first-principles calculations based on the density functional theory. The structural optimization calculations and phonon spectrum analysis indicate that all of the 16 possible binary compounds are thermally stable. In-plane stiffness values cover a range depending on the element types and can be as high as that of graphene, while the calculated bending rigidity is found to be an order of magnitude higher than that of graphene. The obtained electronic band structures show that MX monolayers are indirect band-gap semiconductors. The calculated band gaps span a wide optical spectrum from deep ultraviolet to near infrared. The electronic structure of oxides (MO) is different from the rest because of the high electronegativity of oxygen atoms. The dispersions of the electronic band edges and the nature of bonding between atoms can also be correlated with electronegativities of constituent elements. The unique characteristics of group III-VI binary monolayers can be suitable for high-performance device applications in nanoelectronics and optics.

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“…6,30 While the topmost valence band is the result of hybridization mainly arising from the Se p z orbital, the shapes and the spin splitting in the upper valence bands are the result of mixed p x , p y , and s orbital hybridizations. 9,29,31 The spin-orbit interaction of the valence bands in bilayer GaSe is expected to impart unique optical properties such as 2D spin-dependent excitation and decay by emission of linearly polarized light. 31 The k-PEEM image at the VBM illustrates the constant-energy cross-section of the inverted band structure surrounding the Γ point, Fig.…”

Section: Resultsmentioning

confidence: 99%

“…9,29,31 The spin-orbit interaction of the valence bands in bilayer GaSe is expected to impart unique optical properties such as 2D spin-dependent excitation and decay by emission of linearly polarized light. 31 The k-PEEM image at the VBM illustrates the constant-energy cross-section of the inverted band structure surrounding the Γ point, Fig. 5a.…”

Section: Resultsmentioning

confidence: 99%

Large-grain MBE-grown GaSe on GaAs with a Mexican hat-like valence band dispersion

et al. 2018

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Atomically thin GaSe has been predicted to have a non-parabolic, Mexican hat-like valence band structure due to the shift of the valence band maximum (VBM) near the Γ point which is expected to give rise to novel, unique properties such as tunable magnetism, high effective mass suppressing direct tunneling in scaled transistors, and an improved thermoelectric figure of merit. However, the synthesis of atomically thin GaSe remains challenging. Here, we report on the growth of atomically thin GaSe by molecular beam epitaxy (MBE) and demonstrate the high quality of the resulting van der Waals epitaxial films. The full valence band structure of nominal bilayer GaSe is revealed by photoemission electron momentum microscopy (k-PEEM), confirming the presence of a distorted valence band near the Γ point. Our results open the way to demonstrating interesting new physical phenomena based on MBE-grown GaSe films and atomically thin monochalcogenides in general.

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Symmetry, distorted band structure, and spin-orbit coupling of group-III metal-monochalcogenide monolayers

Cited by 55 publications

References 75 publications

Narrow-band anisotropic electronic structure of ReS2

Narrow-band anisotropic electronic structure of ReS2

Structural and electronic properties of monolayer group III monochalcogenides

Large-grain MBE-grown GaSe on GaAs with a Mexican hat-like valence band dispersion

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