Biased doped silicene as a way to tune electronic conduction

Pogorelov, Yuriy G.; Локтев, В. М.

doi:10.1103/physrevb.93.045117

Cited by 8 publications

(3 citation statements)

References 23 publications

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“…Moreover, this formalism can, in principle, be utilized to identify the critical point of transition and allow for an experimental determination of the strength of SOC in these 2D exotic systems. A TB calculation has been attempted recently for doped and biased silicene to predict a tunable electrical resistance material transforming from a normal metallic phase to a fully insulating one [201].…”

Section: Silicene Under a Transverse Electric Fieldmentioning

confidence: 99%

A theoretical review on electronic, magnetic and optical properties of silicene

2016

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Inspired by the success of graphene, various two dimensional (2D) structures in free standing (FS) (hypothetical) form and on different substrates have been proposed recently. Silicene, a silicon counterpart of graphene, is predicted to possess massless Dirac fermions and to exhibit an experimentally accessible quantum spin Hall effect. Since the effective spin-orbit interaction is quite significant compared to graphene, buckling in silicene opens a gap of 1.55 meV at the Dirac point. This band gap can be further tailored by applying in plane stress, an external electric field, chemical functionalization and defects. In this topical theoretical review, we would like to explore the electronic, magnetic and optical properties, including Raman spectroscopy of various important derivatives of monolayer and bilayer silicene (BLS) with different adatoms (doping). The magnetic properties can be tailored by chemical functionalization, such as hydrogenation and introducing vacancy into the pristine planar silicene. Apart from some universal features of optical absorption present in all these 2D materials, the study on reflectivity modulation with doping (Al and P) concentration in silicene has indicated the emergence of some strong peaks having the robust characteristic of a doped reflective surface for both polarizations of the electromagnetic (EM) field. Besides this, attempts will be made to understand the electronic properties of silicene from some simple tight-binding Hamiltonian. We also point out the importance of shape dependence and optical anisotropy properties in silicene nanodisks and establish that a zigzag trigonal possesses the maximum magnetic moment. We also suggest future directions to be explored to make the synthesis of silicene and its various derivatives viable for verification of theoretical predictions. Although this is a fairly new route, the results obtained so far from experimental and theoretical studies in understanding silicene have shown enough significant promising features to open a new direction in the silicon industry, silicon based nano-structures in spintronics and in opto-electronic devices.

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Section: Silicene Under a Transverse Electric Fieldmentioning

confidence: 99%

A theoretical review on electronic, magnetic and optical properties of silicene

2016

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“…Thermoelectric (TE) materials, which can directly convert thermal energy into electrical energy, are advocated because of improving energy utilization and diversifying energy sources. − A measure of TE properties is generally described by a dimensionless figure of merit: ZT = σ S 2 T /(κ e + κ l ), where S , σ, T , and κ represent the Seebeck coefficient, electrical conductivity, absolute temperature, and thermal conductivity, respectively. − S 2 σ on the numerator is called the power factor PF (PF = S 2 σ), and σ on the denominator includes both the lattice thermal conductivity κ I and electronic thermal conductivity κ e (κ = κ l + κ e ); , hence, a high PF and low κ are the characteristics of superior TE materials. The TE parameters show a complex-dependent relation with each other, e.g., the S and σ are negatively correlated while σ and κ e are positively correlated with changing the carrier’s doping concentration, thus generally resulting in a relatively low TE conversion efficiency. , Therefore, researchers are committed to seeking various strategies to regulate the TE parameters and improve the TE properties: energy band engineering to change the electronic structure of the materials (doping, strain, etc. ), structural engineering to change the dimensionality of the materials (two-dimensional (2D) thin films, construction of heterostructures, etc.…”

Section: Introductionmentioning

confidence: 99%

A First-Principles Study of 2D Bi-Based BiOClBr, BiOClI, and BiOBrI Monolayers with Ultralow Lattice Thermal Conductivities for Thermoelectric Application

Li,

Tian

et al. 2024

ACS Appl. Nano Mater.

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Thermoelectric materials are important in waste heat utilization and clean energy development due to environmental and energy issues. In advanced thermoelectric applications, two-dimensional nanomaterials offer substantial advantages due to their exceptional bending stiffness and natural flexibility. The firstprinciples study has been used to predict the electronic structures and thermoelectric transport characteristics of BiOClBr, BiOClI, and BiOBrI monolayers. The results indicate that the three monolayers are semiconductors with an indirect band gap and high stability. The Seebeck coefficient and electrical conductivity are efficiently enhanced by the valence band valley and high carrier mobility. Moreover, a small phonon group velocity, short phonon relaxation time, large Gruneisen parameter, and phonon scattering phase space are responsible for the low lattice thermal conductivities of 1.66 (BiOClBr), 0.98 (BiOClI), and 1.51 W m −1 K −1 (BiOBrI) at 300 K. Under ntype doping, BiOClBr and BiOClI monolayers have optimal ZT values of 2.30 and 4.35 at 300 K and up to 4.78 and 7.83 at 700 K, respectively. For the BiOBrI monolayer with p-type doping, the optimal ZT values are 5.98 at 300 K and 10.01 at 700 K, which outperform some previously published Bi-based thermoelectric materials, suggesting that the three monolayers are promising Bi-based candidate thermoelectric materials.

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“…13,14 In terms of electrical transport properties, the PF can be improved by altering the band structure through strain or doping. 15,16 The lattice thermal conductivity is a relatively independent parameter, which can be reduced by constructing heterostructures or forming lattice defects to reduce phonon lifetime. 17,18 Thus, it is crucial for the TE eld to nd new materials with good electrical and thermal transport properties.…”

Section: Introductionmentioning

confidence: 99%