Tuning electronic and optical properties of arsenene/C<sub>3</sub>N van der Waals heterostructure by vertical strain and external electric field

Zeng, Hui; Zhao, Jun; Cheng, Aiqiang; Zhang, Lei; He, Zi; Chen, Rushan

doi:10.1088/1361-6528/aaa2e8

Cited by 104 publications

(59 citation statements)

References 55 publications

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“…The charge transfer of the GeP/Gr heterostructure, in fact, is determined by the competition between the influence given by vertical distance and the contact area, for example, 3% strain induces largest electron accumulation for the GeP layer among all strains. Hence, the charge transfer shown here is different from the case of C 3 N/arsenene heterostructure with monotonous variation by using vertical strain 55…”

Section: Resultscontrasting

confidence: 63%

“…It has been shown that the application of an external electric field ( E ext ) can effectively modulate the electronic properties of 2D heterostructure. More recently, some computational works have unveiled that the Schottky barrier heights of electron (

{normalΦ}_{n}^{S B}

) and hole (

{normalΦ}_{p}^{S B}

) can be tuned by the electric field 45,55. We thus consider that a tunable Schottky barrier heights for both electron (

{normalΦ}_{n}^{S B}

) and hole (

{normalΦ}_{p}^{S B}

) can be achieved for the GeP/Gr heterostructure via this route.…”

Section: Resultsmentioning

confidence: 98%

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Tunable Electronic Properties and Potential Applications of 2D GeP/Graphene van der Waals Heterostructure

Zeng

Chen

Ge³

2020

Adv Elect Materials

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Heterostructure of various 2D semiconductors have attracted extensive attention due to their tunable electronic properties and tremendous application potential. Using first‐principles calculations, the electronic properties of a GeP/graphene van der Waals heterostructure are studied and the physical mechanism of its properties modulated by strain and electric field are examined. The calculations reveal that not only the electronic properties of the GeP/Graphene heterostructure, but also the position of the graphene's Dirac cone, can be modulated by uniaxial strain. Interestingly, uniaxial strain can induce p‐type to n‐type Schottky contact transition and its band alignment allows photocatalytic water splitting. The band edges of the GeP relative to that of graphene are effectively modulated by transverse electric field. These findings provide comprehensive understanding of fundamental properties of the GeP/graphene heterostructure and its tunable electronic properties through strain engineering and electric fields, which will be helpful to the application of 2D GeP‐based nanodevices.

show abstract

Section: Resultscontrasting

confidence: 63%

{normalΦ}_{n}^{S B}

) and hole (

{normalΦ}_{p}^{S B}

) can be tuned by the electric field 45,55. We thus consider that a tunable Schottky barrier heights for both electron (

{normalΦ}_{n}^{S B}

) and hole (

{normalΦ}_{p}^{S B}

) can be achieved for the GeP/Gr heterostructure via this route.…”

Section: Resultsmentioning

confidence: 98%

Tunable Electronic Properties and Potential Applications of 2D GeP/Graphene van der Waals Heterostructure

Zeng

Chen

Ge³

2020

Adv Elect Materials

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“…Evaluating the electronic properties of nanostructure semiconductors is crucial for improving their efficiency in electronics. Of these, applying mechanical strain and external electric fields have a long history in adjusting the electronic properties of semiconductors [23][24][25][26][27]. Researchers have found that nanostructures preserve their structure under tension, very higher and lower than their bulk lattice constants, which unbelievably improves their intrinsic performance in nanotechnology industries [28].…”

Section: Introductionmentioning

confidence: 99%

Tuning electronic and optical properties of free-standing Sn2Bi monolayer stabilized by hydrogenation

Mohebpour

Vishkayi

Tagani

2020

Journal of Applied Physics

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In this study, we systematically investigated the structural, mechanical, electronic and optical properties of Sn2Bi monolayer, a sheet experimentally synthesized recently [PRL, 121, 126801 (2018)] which has been hydrogenated (Sn2BiH2) to stabilize free-standing form using density functional theory (DFT). For tuning the band structure and electronic properties, the mechanical strain and electric field are used. Our investigations show that in this free-standing sample, there are electron flat bands and free hole bands like the recently synthesized sample on silicon wafer, which provide the possibility of having strongly localized electrons and free holes with high mobility. Also, the band gap of Sn2BiH2 monolayer has experienced a growth of 80% compared with the experimental sample. The relevant results to strain suggest that the band gap can be properly manipulated by biaxial strain (-13% to +21%) within a range from 0.2 to 1.6 eV. It should be mentioned that the stability and flexibility of the corresponding monolayer under tensile and compressive strain are due to the strong σ bonds between atoms. We also realized the strain can cause indirect-direct transition in the band gap. Furthermore, our optical findings indicate that the Sn2BiH2 monolayer has almost metallic properties in a specific range of UV spectrum and it is transparent in the IR and visible spectrum of electromagnetic radiation. All these tunable properties and nontrivial features portend that Sn2BiH2 monolayer has great potentials in applications as nearinfrared detectors, thermoelectric devices, field-effect transistors, sensors, photocatalysis, energy harvesting, and optoelectronics.

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“…All the calculations are accomplished in CASTEP code. These tasks are based on periodic density functional theory (DFT) with the plane‐wave pseudopotential method . As for the energy band structures of the Ge/AlN HTS under E ‐field, the calculations are conducted in the DMoL3 code.…”

Section: Computational Model and Methodsmentioning

confidence: 99%

Efficient Band Gap Engineering and Enhanced Optical Absorption of Vertical Germanene/h‐AlN Bilayer Heterostructure: Potential New Electronics and Optoelectronics

Gao

Shen

et al. 2019

Physica Status Solidi (b)

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In this contribution, the structural, electronic, and optical properties of Ge/AlN heterostructure (HTS) using DFT calculations have been systematically investigated. The binding energies suggest it falling into the range of van der Waals (vdW) HTS. The changing interlayer distances are employed to obtain the modulated band gaps of 3–141 meV, confirming the interface engineering an efficient means to present significant semiconductor properties of the two‐dimensional (2D) devices. The results further demonstrate that both the external electric field (E‐field) and in‐plane strain can efficiently tune the band gaps of the Ge/AlN HTS. The charge transfer at the interface region causes a built‐in electric field (Eint), contributing to the efficient separation of the photoexcited electron–hole pairs and enhancing the carrier mobility in the systems. More interestingly, the presence of the linear evolution of the band gap under electric field indicates its application prospective in pressure sensors. Besides, a semiconductor‐to‐metal transition is observed for the Ge/AlN HTS through the application of an external E‐field, which implies its wide potential application in nano‐electronic and semiconductor devices. Relatively enhanced optical absorption is presented for the Ge/AlN HTS, respectively, in the visible range than isolated AlN monolayer, and in the ultraviolet light zone than Ge monolayer. These results predict enormous significance for the Ge/AlN HTS in the field of energy conversion and functional devices.

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Tuning electronic and optical properties of arsenene/C₃N van der Waals heterostructure by vertical strain and external electric field

Cited by 104 publications

References 55 publications

Tunable Electronic Properties and Potential Applications of 2D GeP/Graphene van der Waals Heterostructure

Tunable Electronic Properties and Potential Applications of 2D GeP/Graphene van der Waals Heterostructure

Tuning electronic and optical properties of free-standing Sn2Bi monolayer stabilized by hydrogenation

Efficient Band Gap Engineering and Enhanced Optical Absorption of Vertical Germanene/h‐AlN Bilayer Heterostructure: Potential New Electronics and Optoelectronics

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Tuning electronic and optical properties of arsenene/C3N van der Waals heterostructure by vertical strain and external electric field

Cited by 104 publications

References 55 publications

Tunable Electronic Properties and Potential Applications of 2D GeP/Graphene van der Waals Heterostructure

Tunable Electronic Properties and Potential Applications of 2D GeP/Graphene van der Waals Heterostructure

Tuning electronic and optical properties of free-standing Sn2Bi monolayer stabilized by hydrogenation

Efficient Band Gap Engineering and Enhanced Optical Absorption of Vertical Germanene/h‐AlN Bilayer Heterostructure: Potential New Electronics and Optoelectronics

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Tuning electronic and optical properties of arsenene/C₃N van der Waals heterostructure by vertical strain and external electric field