Single-layer group IV-V and group V-IV-III-VI semiconductors: Structural stability, electronic structures, optical properties, and photocatalysis

Lin, Jiahe; Zhang, Hong; Cheng, Xinlu; Miyamoto, Yoshiyuki

doi:10.1103/physrevb.96.035438

Cited by 62 publications

(32 citation statements)

References 63 publications

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“…As an example, a hexagonal GaS-like lattice (V-IV-IV-V) with P6m2 space group has been proposed for IVV compounds, in addition to their experimentally observed layered monoclinic phase. [32][33][34][35][36] Calculations shows that GaS-like IVV monolayers are all semiconductors except for CBi and PbN, which exhibits metallic behavior. 32 It has been shown that their electronic structure can be effectively tuned by applying different types of strain, electric eld, and forming heterojunction with other 2DM like graphene.…”

Section: Introductionmentioning

confidence: 99%

The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations

et al. 2020

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Section: Introductionmentioning

confidence: 99%

The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations

et al. 2020

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“…Their bandgaps showed an almost linear response for the strain, which is suitable for mechanical sensors. [330] However, in other studies, P compounds also showed the most stable monoclinic phase. For example, bulk SiP is an indirect semiconductor with a bandgap of 1.69 eV and was successfully prepared experimentally.…”

Section: Group Iv-vmentioning

confidence: 82%

2D Materials Based on Main Group Element Compounds: Phases, Synthesis, Characterization, and Applications

Neupane

Jia

et al. 2020

Adv Funct Materials

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2D materials based on main group element compounds have recently attracted significant attention because of their rich stoichiometric ratios and structure motifs. This review focuses on the phases in various 2D binary materials including III-VI, IV-VI, V-VI, III-V, IV-V, and V-V materials. Reducing 3D materials to 2D introduces confinement and surface effects as well as stabilizes unstable 3D phases in their 2D form. Their crystal structures, stability, preparation, and applications are summarized based on theoretical predictions and experimental explorations. Moreover, various properties of 2D materials, such as ferroelectric effect, anisotropic optical and electrical properties, ultralow thermal conductivity, and topological state are discussed. Finally, a few perspectives and an outlook are given to inspire readers toward exploring 2D materials with new phases and properties.

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“…The monolayer materials of GaX (X=S, Se, Te) and InSe with the excellent mechanical, electronic and photoelectric properties have been synthesized experimentally [16][17][18][19][20][21][22]. The two-dimensional compounds of group IV-V elements with the same space group as GaX (X=S, Se, Te) have been theoretically predicted to be semiconductors with moderate band gaps and suitable band edge energy position for photodegradation of water [21,[23][24][25][26][27][28][29][30][31][32][33][34][35][36]. The theoretical studies have brought group IV-V monolayers into the family of 2D semiconductors as promising candidates for nanoelectronics and nanophotonic device.…”

Section: Introductionmentioning

confidence: 99%

Structural stabilities, electronic structures, photocatalysis and optical properties of γ-GeN and α-SnP monolayers: a first-principles study

Li¹,

Yan²,

Gao³

et al. 2021

Mater. Res. Express

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Exploring two-dimensional materials with excellent photoelectricity properties is of great theoretical significance and practical value for developing new photocatalysts, electronics and photonic devices. Here, using first-principle calculations, we designed and analyzed systematically a series of α, β and γ phase structures of two-dimensional group IV-V monolayers (IV-V, IV = C, Si, Ge, Sn, Pb；V = N, P, As, Sb, Bi), most of them are semiconductors. Among them, γ-GeN and α-SnP monolayers with thermodynamic and kinetic stability (at 300K) have been further studied due to their wide range of energy band gaps (γ-GeN: 2.54 eV, α-SnP:1.34 eV). The two band gaps are greater than the free energy for water splitting (1.23 eV), which are crucial for photocatalytic decomposition of water. The γ-GeN and α-SnP monolayers present excellent photocatalystics properties in PH=0/7 and PH=10 environments, respectively. Moreover, both of the monolayers show strong light absorption coefficients greater than 105 cm-1 in the visible and ultraviolet regions. In addition, it is found that the band edge positions and band gap sizes of γ-GeN and α-SnP monolayers can be regulated by biaxial strain. Benefitting from the wide selection of energy band gaps and high absorption coefficients, the γ-GeN and α-SnP monolayers are the next generation of promising candidate materials for photocatalysts, nanoelectronics and optoelectronics.

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Single-layer group IV-V and group V-IV-III-VI semiconductors: Structural stability, electronic structures, optical properties, and photocatalysis

Cited by 62 publications

References 63 publications

The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations

The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations

2D Materials Based on Main Group Element Compounds: Phases, Synthesis, Characterization, and Applications

Structural stabilities, electronic structures, photocatalysis and optical properties of γ-GeN and α-SnP monolayers: a first-principles study

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