Realization of a p–n junction in a single layer boron-phosphide

Çakır, Deniz; Kecik, D.; Şahin, Hasan; Durgun, Engin; Peeters, F. M.

doi:10.1039/c5cp00414d

Cited by 116 publications

(63 citation statements)

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The results indicated that the 1:1 compound has a graphene-like structure, which is consistent with previous studies 25–27 . For the other compounds, we observed a series of stable 2D layered structures in each compound.…”

Section: Resultssupporting

confidence: 92%

“…BP films have been synthesised on silicon carbide using chemical vapour deposition 24 . Theoretically, all the previously predicted 2D BP structures have been constructed from hexagonal configurations, and all of them have a band gap in the range of 1–1.8 eV 25–27 . To date, no 2D material with a band gap larger than 2.0 eV has been reported in the B–P system.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties

Liu

Shi

et al. 2017

Sci Rep

View full text Add to dashboard Cite

Two-dimensional (2D) crystals exhibit unique and exceptional properties and show promise for various applications. In this work, we systematically studied the structures of a 2D boronphosphide (BP) monolayer with different stoichiometric ratios (BPx, x = 1, 2, 3, 4, 5, 6 and 7) and observed that each compound had a stable 2D structure with metallic or semiconducting electronic properties. Surprisingly, for the BP5 compounds, we discovered a rare penta-graphene-like 2D structure with a tetragonal lattice. This monolayer was a semiconductor with a quasi-direct band gap of 2.68 eV. More importantly, investigation of the strain effect revealed that small uniaxial strain can trigger the band gap of the penta-BP5 monolayer to transition from a quasi-direct to direct band gap, whereas moderate biaxial strain can cause the penta-BP5 to transform from a semiconductor into a metal, indicating the great potential of this material for nanoelectronic device applications based on strain-engineering techniques. The wide and tuneable band gap of monolayer penta-BP5 makes it more advantageous for high-frequency-response optoelectronic materials than the currently popular 2D systems, such as transition metal dichalcogenides and black phosphorus. These unique structural and electronic properties of 2D BP sheets make them promising for many potential applications in future nanodevices.

show abstract

Section: Resultssupporting

confidence: 92%

Section: Introductionmentioning

confidence: 99%

Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties

Liu

Shi

et al. 2017

Sci Rep

View full text Add to dashboard Cite

show abstract

“…The calculated lattice constants a and b are 3.22 and 5.57 Å, which are very close to those of h-BP monolayer. [42][43][44][45] The bond lengths of B-B, P-P and B-P (see Table 1) are comparable to those of 5 h-BP monolayer (B-P: 1.86 Å), 45 borophene (B-B: 1.62 Å), 46 and phosphorene (P-P: 2.22 Å), 47,48 indicating that the chemical bonds in the borophosphene are strong. Cohesive energy is one of the key factors to evaluate the feasibility of experimental synthesis for the predicted 2D materials, [49][50][51] which is calculated according to the formula of In order to evaluate the stability of borophosphene, phonon spectrum with density of state (DOS) is calculated and shown in Figure 1b.…”

Section: Resultsmentioning

confidence: 81%

Borophosphene: A New Anisotropic Dirac Cone Monolayer with a High Fermi Velocity and a Unique Self-Doping Feature

Zhang

Kang

Zheng

et al. 2019

J. Phys. Chem. Lett.

View full text Add to dashboard Cite

Two-dimensional (2D) Dirac cone materials exhibit linear energy dispersion at the Fermi level, where the effective masses of carriers are very close to zero and the Fermi velocity is ultrahigh, only 2 ~ 3 orders of magnitude lower than the light velocity. Such the Dirac cone materials have great promise in high-performance electronic devices. Herein, we have employed the genetic algorithms methods combining with first-principles calculations to propose a new 2D anisotropic Dirac cone material, that is, orthorhombic boron phosphide (BP) monolayer named as borophosphene. Molecular dynamics simulation and phonon dispersion have been used to evaluate the dynamic and thermal stability of borophosphene. Because of the unique arrangements of B-Band P-P dimers, the mechanical and electronic properties are highly anisotropic. Of great interest is that the Dirac cone of the borophosphene is robust, independent of in-plane biaxial and uniaxial strains, and can also be observed in its one-dimensional (1D) zigzag nanoribbons and armchair nanotubes. The Fermi velocities are ~ 10 5 m/s, the same order of magnitude with that of graphene.By using a tight-binding model, the origin of the Dirac cone of borophosphene is analyzed.Moreover, a unique feature of self-doping can be induced by the in-plane biaxial and uniaxial strains of borophosphene and the Curvature effect of nanotubes, which is great beneficial to realizing high speed carriers (holes). Our results suggest that the borophosphene holds a great promise in high-performance electronic devices, which could promote the experimental and theoretical studies to further explore the potential applications of other 2D Dirac cone sheets.

show abstract

“…27 As there is no imaginary frequency in the phonon dispersion relations shown in Figure 1(a)-1(c), the dynamic stability of these BX monolayers is guaranteed. Besides, the in-plane Young's modulus (141.9 N/m, 121.5 N/m, and 90.8 N/m for the BP, BAs, and BSb, respectively) are comparable with that of the MoS2 monolayer 28 and obviously larger than that of the phosphorene, 29 indicating the mechanical stability of these systems. Moreover, we see from the insets of Fig.…”

mentioning

confidence: 88%

A comparative study of the thermoelectric performance of graphene-like BX (X = P, As, Sb) monolayers

Zhou

Liu

Fan

et al. 2019

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

The electronic and phonon transport properties of graphene-like boron phosphide (BP), boron arsenide (BAs), and boron antimonide (BSb) monolayers are investigated using first-principles calculations and Boltzmann theory. By considering both the phonon-phonon and electron-phonon scatterings, we demonstrate that the strong bond anharmonicity in the BAs and BSb monolayers can dramatically suppress the phonon relaxation time but hardly affects that of electrons. As a consequence, both systems exhibit comparable power factors with that of the BP monolayer but much lower lattice thermal conductivities. Accordingly, a maximum ZT values above 3.0 can be achieved in both BAs and BSb monolayers at optimized carrier concentrations. Interestingly, very similar p-and n-type thermoelectric performance is observed in the BSb monolayer along the armchair direction, which is of vital importance in the fabrication of thermoelectric modules with comparable efficiencies.

show abstract

Realization of a p–n junction in a single layer boron-phosphide

Cited by 116 publications

References 55 publications

Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties

Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties

Borophosphene: A New Anisotropic Dirac Cone Monolayer with a High Fermi Velocity and a Unique Self-Doping Feature

A comparative study of the thermoelectric performance of graphene-like BX (X = P, As, Sb) monolayers

Contact Info

Product

Resources

About