Structural and electronic properties of Stanene-BeO heterobilayer

Chakraborty, Bipradip; Borgohain, Madhurjya M; Adhikary, Nirab C.

doi:10.1088/2053-1591/ab6091

Cited by 9 publications

(5 citation statements)

References 52 publications

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“…Our calculation yielded 2.66 Å for the lattice constant along with a Be–O bond length of 1.535 Å, where the structure of the BeO single layer was fully relaxed. This is in close agreement with previous studies. , The BeO layer exhibits a planar honeycomb structure, similar to graphene, with no buckling present in the structure. The BeO bilayer was adapted by stacking two BeO layers vertically.…”

Section: Resultssupporting

confidence: 93%

“…This is in close agreement with previous studies. 53,67 The BeO layer exhibits a planar honeycomb structure, similar to graphene, with no buckling present in the structure. The BeO bilayer was adapted by stacking two BeO layers vertically.…”

Section: ■ Model and Calculation Methodsmentioning

confidence: 99%

“…The generation of ferroelectricity due to sliding motion is reported for several bilayer structures of 2D materials. − Moreover, it has been demonstrated that group-III nitride bilayers display robust triboelectric and piezoelectric characteristics . In this context, monolayer honeycomb beryllium oxide (BeO) has recently garnered significant interest in the realm of nanoscale device fabrication due to its unique properties, including a large electronic band gap (∼6 eV), exceptional mechanical strength, superior room temperature thermal conductivity (∼270 W/m-K), , high excitonic binding energy, and remarkable optical properties . The anticipated substantial variation in electronegativity among the constituent elements, namely, Be (1.57) and O (3.44), seen in BeO is likely to lead to considerable polarization upon mechanical agitation.…”

Section: Introductionmentioning

confidence: 99%

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Intriguing Two-Dimensional BeO-Based Tribo-Piezoelectric Nanogenerator

Islam,

Zamil,

Ferdous

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ACS Appl. Electron. Mater.

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Section: Resultssupporting

confidence: 93%

Section: ■ Model and Calculation Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Intriguing Two-Dimensional BeO-Based Tribo-Piezoelectric Nanogenerator

Islam,

Zamil,

Ferdous

et al. 2023

ACS Appl. Electron. Mater.

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“…On the other hand, the physical characteristics of a Ge/BeO heterostructure have been investigated using density functional theory, DFT, with the findings indicating that the BeO monolayer is an ideal substrate for germanene [16], and structural stability and electrical characteristics of the Sn/BeO heterostructure have been investigated through DFT. The results demonstrate that in a BeO monolayer the band gap opens significantly, while also retaining sufficiently different electrical characteristics of stanene to a great extent [17].…”

Section: Introductionmentioning

confidence: 80%

High thermoelectric and optical conductivity driven by the interaction of Boron and Nitrogen dopant atoms with a 2D monolayer Beryllium Oxide

Abdullah,

Gudmundsson

2021

Preprint

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The electronic, thermal and optical properties of a monolayer BeO with Boron (B) and Nitrogen (N) co-dopant atoms are studied by means of a density functional theory computation. Our calculations reveal that BeO with BNcodopant atoms can give rise to more effective and outstanding performance for the thermal and optical responses. More significantly, the monolayer BeO with BN codopant atoms becomes a semiconductor with a direct band gap in comparison with the insulator behavior of pristine BeO. The particular attention of this work is paid to the influence of the atomic configuration and the interaction of the B and N dopant atoms with BeO. The interaction of the B and N atoms with the BeO monolayer diminishes degenerate energy states forming flat bands. It is also found that there is a strong attractive interaction between the O and N atoms forming a strong sigma bond breaking the symmetry of BeO structure. Consequently, the band gap is reduced leading to a semiconductor behavior with improved thermoelectric properties such as the Seebeck coefficient and the figure of merit. The reduced band gap and the flat bands induce a high optical responses such as the refractive index, the reflectivity and the optical conductivity in the visible light region. In addition, the anisotropy of a monolayer BeO with B and N atoms regarding different direction of electromagnetic polarization is presented. We anticipate that our results can be useful for design of both thermoelectric and optoelectronic devices.

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“…They also showed that the system has potentially high UV absorption capability. Chakraborty et al [78] investigated a stanene/BeO heterostructure. Its structural stability was confirmed, and electronic properties calculations showed a large band gap with Dirac cone opened, the size of which was enlarged by the interaction with the substrate.…”

Section: Substrates Theoretically Predicted To Support Epitaxial Stanenementioning

confidence: 99%

Group IV elements in 2D structures

Ochapski

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The discovery of graphene opened a new field in the physics of solid matter, focusing on two dimensional (2D) materials [1]. The newly obtained material turned out to have very unusual properties, the most interesting in its electronic aspect. Graphene shows linear dispersion around the Fermi levela Dirac cone [2]. This makes the electrons velocity in graphene independent of energy, i.e. they behave as if they have no mass. It also exhibits very high carrier mobility [3]. Graphene came into existence at a similar time with the development of another new branch of (theoretical) solid-state physics, investigating topological states of matter [4]. What made the material really "famous" was that it is predicted to be a promising candidate for a variety of exotic topological properties [5]. From there, it has quickly grown to become one of the major research directions in today's field of materials science. However promising, over 15 years of research on graphene has shown that some major obstacles on the way to utilizing its electronic properties are very hard to overcome. Even though theoretically possible, non-trivial topological effects are inaccessible for experimental physics, due to the extreme conditions in which those effects appear. The reason for this is the lack of a bandgap, which also hampers the application of graphene in semiconductor devices. The attempts of modifying graphene's electronic structure in order to open a significant bandgap with several techniques, like adsorbates, stress, external fields and even shape had only limited success. Hence, the attention of the community turned to other 2D materials, where this major problem would be easier to tackle. There are several directions including transition metal dichalcogenides and other

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Structural and electronic properties of Stanene-BeO heterobilayer

Cited by 9 publications

References 52 publications

Intriguing Two-Dimensional BeO-Based Tribo-Piezoelectric Nanogenerator

Intriguing Two-Dimensional BeO-Based Tribo-Piezoelectric Nanogenerator

High thermoelectric and optical conductivity driven by the interaction of Boron and Nitrogen dopant atoms with a 2D monolayer Beryllium Oxide

Group IV elements in 2D structures

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