Strain behavior and Carrier mobility for novel two-dimensional semiconductor of GeP: First principles calculations

Shi, Li-Bin; Cao, Shuo; Yang, Mei

doi:10.1016/j.physe.2018.11.024

Cited by 50 publications

(22 citation statements)

References 43 publications

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“…These 2D lattices were also found to show strain-tunable band gap, which is desirable for sensing applications. The optical and electronic properties of these novel 2D systems were also explored in the several recent theoretical works [23][24][25][26][27][28][29][30][31][32]. In general, theoretical studies offer unique tools to investigate the material properties of 2D based materials [33][34][35][36][37][38][39].…”

Section: Introductionmentioning

confidence: 99%

Two-Dimensional SiP, SiAs, GeP and GeAs as Promising Candidates for Photocatalytic Applications

et al. 2019

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Group IV–V-type layered materials, such as SiP, SiAs, GeP and GeAs, are among the most attractive two-dimensional (2D) materials that exhibit anisotropic mechanical, optical and transport properties. In this short communication, we conducted density functional theory simulations to explore the prospect of SiP, SiAs, GeP and GeAs nanosheets for the water-splitting application. The semiconducting gaps of stress-free SiP, SiAs, GeP and GeAs monolayers were estimated to be 2.59, 2.34, 2.30 and 2.07 eV, respectively, which are within the desirable ranges for the water splitting. Moreover, all the considered nanomaterials were found to yield optical absorption in the visible spectrum, which is a critical feature for the employment in the solar water splitting systems. Our results furthermore confirm that the valence and conduction band edge positions in SiP, SiAs, GeP and GeAs monolayers also satisfy the requirements for the water splitting. Our results highlight the promising photocatalytic characteristics of SiP, SiAs, GeP and GeAs nanosheets for the application in solar water splitting and design of advanced hydrogen fuel cells.

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Section: Introductionmentioning

confidence: 99%

Two-Dimensional SiP, SiAs, GeP and GeAs as Promising Candidates for Photocatalytic Applications

et al. 2019

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“…For example, boronene, blue phosphorene, CuSe, CuSi, graphitic C 2 N, and C 3 N . That is to say, 2D group IV–V compounds with different geometric structures and stoichiometric ratios are expectable targets in future experiments, which have attracted much theoretical interests …”

Section: Calculated Lattice Parameters Space Group Layer Thicknessmentioning

confidence: 99%

Low‐Energy GeP Monolayers with Natural Type‐II Homojunctions for SunLight‐Driven Water Splitting

Jiao

Zhou

et al. 2019

Physica Rapid Research Ltrs

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The discovery of two new GeP monolayers (GeP‐2 and GeP‐4) with structural similarity to the experimentally synthesized C2/m (GeP‐3) phase, that their structures can be decomposed to hypothetical (2,2), (4,4), and (3,3) GeP nanotubes, respectively, is reported. The calculated total energies show that both GeP‐2 and GeP‐4 possess comparable stabilities to the experimentally realized GeP‐3, and they are confirmed to be dynamically stable according to their phonon vibrational spectrum. The current study also shows that three homojunctions (GeP‐2 and GeP‐4, GeP‐2 and GeP‐3, and GeP‐3 and GeP‐4) with perfect boundary can be naturally formed in GeP‐2, GeP‐3, and GeP‐4. The HSE06‐based electronic properties show that GeP‐2, GeP‐3, GeP‐4, and their homojunctions possess suitable band alignment and type‐II features for sunlight‐driven water‐splitting at both pH = 0 and pH = 7. These low‐energy GeP monolayers are desirable targets and highly expected to be synthesized in future experiments in view of their structural compatibility to GeP‐3 and the potential applications in water‐splitting.

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“…It is possible to combine P with Group IV elements to obtain perfect new partners of NLO materials in 2D phase. Recently, researchers have conducted many studies on 2D Group IV–P compounds, including theoretical predictions and experimental explorations . For example, Zeng and colleagues reported that monolayer SiP has a direct E g of 2.59 eV, which is different from the indirect E g for its bulk counterpart .…”

Section: Introductionmentioning

confidence: 99%

“…Bhowmick and colleagues predicted that layered SnP 3 has a high carrier mobility, tunable E g , and large optical absorption coefficient, implying that SnP 3 has great potential as a NLO material . In regard to 2D Ge–P compounds, including GeP, GeP 2 , GeP 3 , and GeP 5 , some significant investigations have been performed. The calculation shows that GeP 3 possesses a higher chemical stability than BP, a high carrier mobility (8.84 × 10 3 cm 2 V −1 s −1 ), a moderate tunable E g from 0 to 0.55 eV and pronounced light absorption in the spectral range from ≈600 to 1400 nm, which indicates that GeP 3 is a promising candidate for optoelectronic and photonic application.…”

Section: Introductionmentioning

confidence: 99%

2D GeP as a Novel Broadband Nonlinear Optical Material for Ultrafast Photonics

Guo

Huang

Zhang

et al. 2019

Laser & Photonics Reviews

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A new member of the IV–V compounds, germanium–phosphorus (Ge–P) compounds, has been shown in experiment and theory to have a tunable bandgap (Eg), excellent chemical stability, strong in‐plane anisotropy, and wide‐range optical absorption, all indicating a promising future in electronic and optoelectronic applications. In this work, the application potential of Ge–P compounds as nonlinear optical (NLO) materials in ultrafast photonics is studied for the first time. The strong light–matter interaction, broad and tunable Ep, and broadband and strong optical response make GeP a likely NLO material for photonics, especially in infrared photonic devices. In addition, 2D GeP nanosheets are mixed with poly(vinylidene fluoride) (PVDF) to obtain a GeP@PVDF composite film, which further improves the stability of the GeP and, for the development of organic photonic devices, helps to slow its degradation. From Z‐scan data and fitting results, it is found that GeP has an excellent broadband NLO response. Moreover, using the GeP@PVDF composite film as a saturable absorber, a high‐stability femtosecond laser with a 722 fs pulse width is obtained in the telecommunications band. Preliminarily, Ge–P compounds display excellent optical properties suggesting that they may be used as NLO materials in advanced photonic devices.

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Strain behavior and Carrier mobility for novel two-dimensional semiconductor of GeP: First principles calculations

Cited by 50 publications

References 43 publications

Two-Dimensional SiP, SiAs, GeP and GeAs as Promising Candidates for Photocatalytic Applications

Two-Dimensional SiP, SiAs, GeP and GeAs as Promising Candidates for Photocatalytic Applications

Low‐Energy GeP Monolayers with Natural Type‐II Homojunctions for SunLight‐Driven Water Splitting

2D GeP as a Novel Broadband Nonlinear Optical Material for Ultrafast Photonics

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