Overlap energy role investigation on location of π and π* electronic bands in α-graphyne

Ahmadi, Mohammad Taghi; Rahmatpour, Esmaeil; Rahmani, Meisam

doi:10.1088/1402-4896/ac36ee

Cited by 2 publications

(2 citation statements)

References 37 publications

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“…promising potential of nanomaterials, and could provide valuable data for further theoretical modeling and experimental works on nano-scale systems. [32][33][34][35][36][37][38][39][40][41][42]…”

Section: Resultsmentioning

confidence: 99%

Investigation of Boron Nitro Silicone Band Modulation Using the Tight-Binding Method

Ahani

Ahmadi

Abazari

et al. 2022

ECS J. Solid State Sci. Technol.

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Boron nitro silicone (Si2BN), as a 2D material, is widely used due to its outstanding electrical properties. The electrical parameters of Si2BN must be defined and engineered precisely to improve device performance. This paper investigates the band structure and effective parameters of Si2BN using the tight binding approach. The unit cell including 4 atoms is considered for monolayer structure and the Schrodinger equation is calculated to obtain the energy levels. The effect of hopping energy on Si2BN band structure is also studied considering the conduction and valence bands. It is demonstrated that the distance between conduction and valance bands can be modified using the effect of lattice constant variation. The obtained results show that the nature of matter changes with fluctuating hopping energy of Si2BN. Alteration of the material properties can be explained in the form of applied perpendicular electric field to the Si2BN surface or strain and stress effects. The overlap energy variation in the form of band gap modulation is also explored and it is concluded that the band gap is decreased by strengthening of Silicon–Boron interaction. This research emphasized that obtained results are now suitable for being employed in different applications of nanoelectronics.

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Section: Resultsmentioning

confidence: 99%

Investigation of Boron Nitro Silicone Band Modulation Using the Tight-Binding Method

Ahani

Ahmadi

Abazari

et al. 2022

ECS J. Solid State Sci. Technol.

Self Cite

View full text Add to dashboard Cite

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“…This research demonstrates the hopeful potential of nanomaterials in applications of nanoscale systems, and could offer helpful information for further theoretical modeling and simulation on nanomaterial-based devices such as nanotransistors and nanosensors. [36][37][38][39][40][41][42][43][44][45][46][47][48][49][50]…”

Section: H H H H H H H H H Hmentioning

confidence: 99%

Investigation of Bond Energy Effect on the Electronic Band Structure of Penta-Graphene using Tight-Binding Method

Ahmadi¹,

Balkanloo²,

Rahmani³

et al. 2022

ECS J. Solid State Sci. Technol.

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Graphene is a semiconductor with zero band-gap, meaning that the energy difference between the valence band and conduction band is zero. This characteristic is not a good feature for making electronic devices such as transistors and sensors. Therefore, by changing the structure of graphene, a new sample of graphene as “penta graphene” with a non-zero band-gap can be obtained. Penta graphene as a new and stable carbon allotrope is stronger than graphene. It is a nonconductor material in which the transfer of electrons from the valence band to the conduction band is very low. In this research, an attempt has been made by solving the Schrödinger equation for two bond energies t and tp and finally by equating these two energies in the equation, two bands of valence and conduction in penta graphene meet at two points and there is an overlap in this case. Considering the real part of the roots and regardless of their imaginary part, the diagrams of energy E as a function of wave vector k can be obtained for different amounts of bond energy. The results demonstrate that by increasing the value of t, the band gap decreases and there is an overlap between the conduction and valance bands.

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Overlap energy role investigation on location of π and π* electronic bands in α-graphyne

Cited by 2 publications

References 37 publications

Investigation of Boron Nitro Silicone Band Modulation Using the Tight-Binding Method

Investigation of Boron Nitro Silicone Band Modulation Using the Tight-Binding Method

Investigation of Bond Energy Effect on the Electronic Band Structure of Penta-Graphene using Tight-Binding Method

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