First-Principles Investigations of Al/P Co-doping Effect on Disconnected Armchair Silicene Nanoribbon for Switching Device Applications

Kharwar, Saurabh; Singh, Sangeeta

doi:10.1007/s12633-021-01534-1

Cited by 2 publications

(3 citation statements)

References 54 publications

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“…When the current under a positive bias was much larger than the corresponding current under a negative bias, the rectification behavior was stronger. As can be seen from Figure 4, within the range of 0.1 V-0.4 V, the rectification coefficient of A7-E decreased with the increase in the threshold voltage; it reached a maximum of 190 at 0.3 V, which was several times greater than the rectification ratio achieved by the molecular devices previously reported in the literature [32,41,42] (Table 1). In addition, compared with the doping of a single P atom reported by the research group of Zhang et al [43], the doping of AA-P 2 could generate more impurity energy bands, resulting in a more obvious negative differential effect and rectification behavior of rectifier devices under asymmetric electrodes.…”

Section: Resultsmentioning

confidence: 63%

“…In SiNRs, the elements aluminum (Al), phosphorus (P), and sulfur (S) can replace the silicon atoms, similar to B and N elements [27][28][29][30][31][32]. Sivek et al, studied the effect of the doping of B, N, Al, and P on the electronic structure and magnetism of SiNRs, showing that the doping of B, N, and P atoms provided electron acceptors and Al atoms acted as electron donors [33].…”

Section: Introductionmentioning

confidence: 99%

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Controllable Low-Bias Rectifying Behaviors Induced by AA-P2 Dopants in Armchair Silicene Nanoribbons with Different Widths

Cheng

Zhang

et al. 2023

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The electronic transport properties and rectifying behaviors of armchair silicene nanoribbons (ASiNRs) were investigated by using first-principles density functional theory, in which the left lead was pristine ASiNR and the right lead was doped ASiNR where two phosphorus (P) atoms replaced a pair of adjacent silicon atoms in the same sublattice A (AA-P2). Two types of AA-P2-doped models were considered for P dopant-substitute silicon atoms at the center or edges. The results showed that the rectification behavior of the system with a large rectifying ratio could be found, which could be modulated by changing the width of the silicene nanoribbons or the position of the AA-P2 dopant. Mechanisms were revealed to explain the rectifying behaviors and provide a theoretical basis for semiconductor rectifier devices.

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Section: Resultsmentioning

confidence: 63%

Section: Introductionmentioning

confidence: 99%

Controllable Low-Bias Rectifying Behaviors Induced by AA-P2 Dopants in Armchair Silicene Nanoribbons with Different Widths

Cheng

Zhang

et al. 2023

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“…In the past it has been shown that band gap opening makes silicene a potential candidate for chemical nano-sensor and its sensing capability can be improved by doping with aluminium (Al) or phosphorus (P) [33]. Besides, S kharwar et al [34]. reported the structural stability of ASiNR co-doped with Al/P.…”

Section: Introductionmentioning

confidence: 99%

Pristine and modified silicene based volatile organic compound toxic gas sensor: a first principles study

Showket,

Shah,

Dar

2023

Phys. Scr.

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In this work, we have investigated the sensitivity of two Volatile Organic Compounds (VOCs), formaldehyde (FD) and acetaldehyde (AD) on the surface of two-dimensional (2D) Armchair Silicene Nanoribbon (ASiNR) by analysing the structural, electronic and transport properties using density functional theory (DFT) and non-equilibrium Green's function (NEGF) formalism. Different models of ASiNR have been considered viz; pristine, Al-doped, P-doped, Al/P co-doped and vacancy-defected ASiNR. The findings revealed that the vacancy-defected models shows a significant increase in the adsorption energies for both VOCs compared to other models. Apart from that, in all the models, the current increases with the applied voltage and the maximum value of current was found in Al/P co-doped model at a higher bias voltage of 2 V. The variation of the computed transmission spectrum peaks from -2 to 2 eV of energy values also confirms the sensitivity of the proposed models towards the VOC molecules. Moreover, the projected device density of states (PDDOS) revealed that all the models remain semiconducting before and after adsorption, which completely agrees with the transmission spectrum. Furthermore, Al/P co-doped model shows high sensitivity of 68% and77% towards FD and AD molecules respectively. Thus, it is concluded that the modeled ASiNR VOC gas sensors will aid in sensing cancer.

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First-Principles Investigations of Al/P Co-doping Effect on Disconnected Armchair Silicene Nanoribbon for Switching Device Applications

Cited by 2 publications

References 54 publications

Controllable Low-Bias Rectifying Behaviors Induced by AA-P2 Dopants in Armchair Silicene Nanoribbons with Different Widths

Controllable Low-Bias Rectifying Behaviors Induced by AA-P2 Dopants in Armchair Silicene Nanoribbons with Different Widths

Pristine and modified silicene based volatile organic compound toxic gas sensor: a first principles study

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