Effective Doping of Monolayer Phosphorene by Surface Adsorption of Atoms for Electronic and Spintronic Applications

Rastogi, Priyank; Kumar, Sanjay; Bhowmick, Somnath; Agarwal, Amit; Chauhan, Yogesh Singh

doi:10.48550/arxiv.1503.04296

Cited by 4 publications

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“…It has been shown that the intrinsic bandgap of phosphorene and other layered materials can be modulated by applying external perturbation like strain and electric field [10][11][12][13][14][15][16][17][18][19] . More interestingly, it has also been predicted that an electric field applied out of the plane of phosphorene can induce a tunable Dirac cone, and additionally induce a normal insulator to topological insulator to metal transition 20,21 .…”

Section: Introductionmentioning

confidence: 99%

Thickness and electric-field-dependent polarizability and dielectric constant in phosphorene

et al. 2016

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Based on extensive first principle calculations, we explore the thickness dependent effective dielectric constant and slab polarizability of few layer black phosphorene. We find that the dielectric constant in ultra-thin phosphorene is thickness dependent and it can be further tuned by applying an out of plane electric field. The decreasing dielectric constant with reducing number of layers of phosphorene, is a direct consequence of the lower permittivity of the surface layers and the increasing surface to volume ratio. We also show that the slab polarizability depends linearly on the number of layers, implying a nearly constant polarizability per phosphorus atom. Our calculation of the thickness and electric field dependent dielectric properties will be useful for designing and interpreting transport experiments in gated phosphorene devices, wherever electrostatic effects such as capacitance, charge screening etc. are important.

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Section: Introductionmentioning

confidence: 99%

Thickness and electric-field-dependent polarizability and dielectric constant in phosphorene

et al. 2016

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“…The remarkable strain effects on modifying the electronic and structural properties of phosphorene have already been demonstrated by several research groups. 23,25,27,29 Rastogi et al 54 systematically investigated the effect of the surface adsorption of 27 different adatoms on the electronic and magnetic properties of MBP by using density functional theory (DFT). They provided a rich variety of electronic and magnetic transformations depending on the different adatoms.…”

Section: Introductionmentioning

confidence: 99%

Tuning the electronic and optical properties of phosphorene by transition-metal and nonmetallic atom co-doping

2016

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“…22 Theoretical studies show that the phosphorene surface has a good adsorption capacity for foreign atoms, which are stronger than the BN, SiC, MoS 2 , and graphene ones. [23][24][25] Through atom doping, variable magnetic states can be induced by transition metal adatoms, [26][27][28] and similarly utilizing the light non-metallic B adatom, bipolar magnetic semiconducting features can be achieved in these phosphorene sheets. 23,24,29 When the foreign adatom replaces a host P atom, the substitution would drastically modulate the electronic properties of the systems.…”

Section: Introductionmentioning

confidence: 99%

Tunable electronic structures of germanium monochalcogenide nanosheets via light non-metallic atom functionalization: a first-principles study

Ding

Wang

2016

Phys. Chem. Chem. Phys.

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Germanium monochalcogenides, i.e. GeS and GeSe sheets, are isoelectronic analogues of phosphorene, which have been synthesized in recent experiments (P. Ramasamy et al., J. Mater. Chem. C, 2016, 4, 479). Utilizing first-principles calculations, we have investigated their tunable electronic and magnetic properties via light non-metallic atom (B, C, N, O, Si, P, S) functionalization. We find that on these GeS and GeSe sheets O and S adatoms prefer to locate at the top site above the Ge atom, while the other ones like to occupy the anion site, which push the original S/Se atom to the hollow site instead. O and S adatoms slightly affect the semiconducting behaviour of the doped systems, while B, C, N, Si, P ones will drastically modify their band structures and induce versatile spintronic properties. Through the supercell calculations, B and C adatoms are found to induce a bipolar semiconducting behaviour in the decorated systems, while the N/P adatom will cause a spin-gapless-semiconducting/nearly-half-metallic feature in them. The B/C/N/Si/P-substituted GeS/GeSe sheet can be formed by removing the hollow-site S/Se atom from the adatom-decorated structures, which exhibit an opposite semiconducting/metallic behaviour to their phosphorene counterparts. A general odd-even rule is proposed for this phenomenon, which shows that an odd (even) number of valence electron difference between the substitution and host atoms would cause a metallic (semiconducting) feature in the substituted systems. Our study demonstrates that atom functionalization is an efficient way to tailor the properties of GeS and GeSe nanosheets, which have adaptable electronic properties for potential applications in nanoelectronics and spintronics.

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Effective Doping of Monolayer Phosphorene by Surface Adsorption of Atoms for Electronic and Spintronic Applications

Cited by 4 publications

References 0 publications

Thickness and electric-field-dependent polarizability and dielectric constant in phosphorene

Thickness and electric-field-dependent polarizability and dielectric constant in phosphorene

Tuning the electronic and optical properties of phosphorene by transition-metal and nonmetallic atom co-doping

Tunable electronic structures of germanium monochalcogenide nanosheets via light non-metallic atom functionalization: a first-principles study

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