Ab initio electronic properties of dual phosphorus monolayers in silicon

Drumm, Daniel W.; Per, Manolo C.; Budi, Akin; Hollenberg, Lloyd C. L.; Russo, Salvy P.

doi:10.1186/1556-276x-9-443

Cited by 5 publications

(7 citation statements)

References 28 publications

(54 reference statements)

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“…as the wavefunction overlap between the two rows decreases so too does the Γ 1 -Γ 3 splitting. A similar energy splitting has previously been reported for two adjacent δ-doped layers 49,50 .…”

Section: Band Structure Of δ-Doped Wiressupporting

confidence: 88%

Electronic transport in Si:Pδ-doped wires

et al. 2015

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Despite the importance of Si:P delta-doped wires for modern nanoelectronics, there are currently no computational models of electron transport in these devices. In this paper we present a nonequilibrium Green's function model for electronic transport in a delta-doped wire, which is described by a tight-binding Hamiltonian matrix within a single-band effective-mass approximation. We use this transport model to calculate the current-voltage characteristics of a number of delta-doped wires, achieving good agreement with experiment. To motivate our transport model we have performed density-functional calculations for a variety of delta-doped wires, each with different donor configurations. These calculations also allow us to accurately define the electronic extent of a delta-doped wire, which we find to be at least 4.6 nm.

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Section: Band Structure Of δ-Doped Wiressupporting

confidence: 88%

Electronic transport in Si:Pδ-doped wires

et al. 2015

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“…Apart from its ability to tune the band gap between the valence band and conduction band local extrema, strain also plays a significant role in tuning the effective masses, thereby affecting the exciton anisotropy and binding strength . The properties of BP depends on the layer thickness, applied strain force, stacking order and external electric field, enabling the realization of devices for different applications such as electronics, optoelectronics, energy storage, saturable absorbers (SA), pulsed lasers and sensing …”

Section: Structure and Fundamentals Of Phosphorenementioning

confidence: 99%

Emerging Trends in Phosphorene Fabrication towards Next Generation Devices

et al. 2017

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The challenge of science and technology is to design and make materials that will dominate the future of our society. In this context, black phosphorus has emerged as a new, intriguing two‐dimensional (2D) material, together with its monolayer, which is referred to as phosphorene. The exploration of this new 2D material demands various fabrication methods to achieve potential applications— this demand motivated this review. This article is aimed at supplementing the concrete understanding of existing phosphorene fabrication techniques, which forms the foundation for a variety of applications. Here, the major issue of the degradation encountered in realizing devices based on few‐layered black phosphorus and phosphorene is reviewed. The prospects of phosphorene in future research are also described by discussing its significance and explaining ways to advance state‐of‐art of phosphorene‐based devices. In addition, a detailed presentation on the demand for future studies to promote well‐systemized fabrication methods towards large‐area, high‐yield and perfectly protected phosphorene for the development of reliable devices in optoelectronic applications and other areas is offered.

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“…In this paper we present the results of electronic structure calculations performed on a single phosphorus donor in silicon with DFT. This approach has previously been benchmarked in a number of other studies [27][28][29][30][31][32][33] . For more information on this method and its benchmarking see the supplemental material.…”

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confidence: 99%

Ab initio calculation of energy levels for phosphorus donors in silicon

Smith

Budi

Per

et al. 2017

Sci Rep

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The s manifold energy levels for phosphorus donors in silicon are important input parameters for the design and modeling of electronic devices on the nanoscale. In this paper we calculate these energy levels from first principles using density functional theory. The wavefunction of the donor electron’s ground state is found to have a form that is similar to an atomic s orbital, with an effective Bohr radius of 1.8 nm. The corresponding binding energy of this state is found to be 41 meV, which is in good agreement with the currently accepted value of 45.59 meV. We also calculate the energies of the excited 1s(T 2) and 1s(E) states, finding them to be 32 and 31 meV respectively.

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Ab initio electronic properties of dual phosphorus monolayers in silicon

Cited by 5 publications

References 28 publications

Electronic transport in Si:Pδ-doped wires

Electronic transport in Si:Pδ-doped wires

Emerging Trends in Phosphorene Fabrication towards Next Generation Devices

Ab initio calculation of energy levels for phosphorus donors in silicon

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