Calculation of electronic and transport properties of phosphorene nanoribbons using DFT and semi empirical models

Carmel, A. Santhia; Pon, Adhithan; Ramesh, R.; Bhattacharryya, Arkaprava

doi:10.1109/icmdcs.2017.8211588

Cited by 3 publications

(3 citation statements)

References 23 publications

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“…The band structure for black phosphorene is plotted in Figure 3. The separation between the conduction and the valence band of a4b5 black phosphorene is 0.81 eV which is close to a study by Carmel et al [15]. When the layer is made dual, the bandgap reduce to 0.11 eV indicating that the value of bandgap decrease with the increment of number of channel.…”

Section: Resultssupporting

confidence: 88%

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Current Conduction in Dual Channel Black Phosphorene Nanoribbon Transistor

Johari

Alias²,

Auzar³

2018

Elektrika

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Phosphorene continues to fascinate research community due to its excellent physical and electrical properties. In this paper, the feasibility study of using dual conducting channel in black phosphorene nanoribbon transistor is investigated using Atomistic simulation tool. Both electronic and transport properties are evaluated. Through simulation, it is demonstrated that the conduction behavior behave differently where the current exhibit a great deal of increment when using dual channel. The performance was superior compared to single channel and suggests that the number of conducting channel is a significant factor in improving device behavior.

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Section: Resultssupporting

confidence: 88%

“…The DOS for the dualchannel clearly shows how electric field can shift the energy levels to the higher energy and confirms that the field effect transistor-like behavior of PNRs. For the transmission spectrum, T(E) it calculate by using the formula [15],…”

Section: Resultsmentioning

confidence: 99%

Current Conduction in Dual Channel Black Phosphorene Nanoribbon Transistor

Johari

Alias²,

Auzar³

2018

Elektrika

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“…DFTB has been increasingly used in recent years, for predicting different phosphorene properties. 30,[49][50][51][52][53][54] Here, we use the thirdorder parameterization for organic and biological systems (3OB) [55][56][57] Slater-Koster parameters to determine the electronic properties of interest, including band-structures and bandgaps. DFTB was coupled to the NEGF machinery, to determine the electronic transport characteristics for the different device congurations, involving pristine and po-phosphorene semiconducting channels in a three-probe, back-gated, eld-effect conguration.…”

Section: Methods and Proceduresmentioning

confidence: 99%

Effect of surface oxidation on the electronic transport properties of phosphorene gas sensors: a computational study

Marmolejo‐Tejada

Jaramillo-Botero

2020

RSC Adv.

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Zigzag phosphorene antidot nanoribbons (ZPANRs) for the detection of nucleobases: A DFT based study

Carmel

Sriram

Tan

et al. 2022

Journal of Applied Physics

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In this work, we have investigated the potential of zigzag phosphorene antidot nanoribbons (ZPANRs) for biosensing applications. ZPANRs were created from the optimized structures of phosphorene nanoribbons by using a density functional theory tool. Utilizing the generalized gradient approximation half method for improving the accuracy of calculations, we have studied the electronic and sensing behavior of ZPANRs based devices wherein nucleobases were inserted into the device. We have compared the device performance of ZPANRs with and without nucleobases and found that using ZPANRs devices, we are able to identify different nucleobases with considerable sensitivity. In a quantitative manner, a max sensitivity of 45[Formula: see text] is achieved while identifying adenine nucleobase using the ZPANRs based devices. From these simulation results, it is predicted that the ZPANR based two-terminal device can work as a possible biosensor.

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Calculation of electronic and transport properties of phosphorene nanoribbons using DFT and semi empirical models

Cited by 3 publications

References 23 publications

Current Conduction in Dual Channel Black Phosphorene Nanoribbon Transistor

Current Conduction in Dual Channel Black Phosphorene Nanoribbon Transistor

Effect of surface oxidation on the electronic transport properties of phosphorene gas sensors: a computational study

Zigzag phosphorene antidot nanoribbons (ZPANRs) for the detection of nucleobases: A DFT based study

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