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

Chowdhury, Suman; Jana, Debnarayan

doi:10.1088/0034-4885/79/12/126501

Cited by 177 publications

(123 citation statements)

References 319 publications

(452 reference statements)

Supporting

Mentioning

119

Contrasting

Unclassified

Order By: Relevance

“…Magnetism induced by vacancies and doping by halogens, TMs, and various other elements, in monolayer silicene, as well as germanene and stanene, and their nanostructures and hybrid structures with graphene have been investigated, using mainly first‐principles calculations. Details can be found in recent reviews by Chowdhury and Jana and Rong et al Intrinsic and doping‐induced magnetism have been explored in other 2D materials, including TaX 2 (X = S, Se, and Te), MoN 2 , MXenes or M 2 C (M = Hf, Nb, Sc, Ta, Ti, V, Zr), porous phosphorene, GaSe, SnSe,, TiS 3 ,, SiC, GaS, C 2 N, BN, GaN, ZnO,, etc. In particular, first‐principles calculations predict that hole doping induces FM phase transition in GaSe and GaS, due to exchange splitting of electronic states at the top of the valence band, where the DOS exhibits a sharp van Hove singularity in this quasi‐2D system .…”

Section: Spin Generationmentioning

confidence: 99%

Prospects of spintronics based on 2D materials

Feng

Shen

Yang

et al. 2017

WIREs Comput Mol Sci

190

135

View full text Add to dashboard Cite

Spintronics holds the promise for future information technologies. Devices based on manipulation of spin are most likely to replace the current silicon complementary metal‐oxide semiconductor devices that are based on manipulation of charge. The challenge is to identify or design materials that can be used to generate, detect, and manipulate spin. Since the successful isolation of graphene and other two‐dimensional (2D) materials, there has been a strong focus on spintronics based on 2D materials due to their attractive properties, and much progress has been made, both theoretically and experimentally. Here, we summarize recent developments in spintronics based on 2D materials. We focus mainly on materials of truly 2D nature, that is, atomic crystal layers such as graphene, phosphorene, monolayer transition metal dichalcogenides, and others, but also highlight current research foci in heterostructures or interfaces. In particular, we emphasize roles played by computation based on first‐principles methods which has contributed significantly in the designs of spintronic materials and devices. We also highlight challenges and suggest possible directions for further studies. WIREs Comput Mol Sci 2017, 7:e1313. doi: 10.1002/wcms.1313 This article is categorized under: Structure and Mechanism > Computational Materials Science Electronic Structure Theory > Ab Initio Electronic Structure Methods Electronic Structure Theory > Density Functional Theory

show abstract

Section: Spin Generationmentioning

confidence: 99%

Prospects of spintronics based on 2D materials

Feng

Shen

Yang

et al. 2017

WIREs Comput Mol Sci

190

135

View full text Add to dashboard Cite

show abstract

“…The successful results in the study of graphene have expanded the scientific interest on studying the theoretical and experimental of other elements such as Si and Ge atoms with similar two-dimensional stable honeycomb structures which referred to as Silicene (Si) and Germanene (Ge) 14 . In contrast to planar graphene, the planar Germanene is unstable and becomes stable with small buckling (∆0 = 0.64 Å), due to the mixing of sp2 and sp3 hybridization 15,16 tight Binding formalism electronic structure. An analytical formula using first nearest neighbor tight binding (1NN-TB) model, has been found for calculation of π-band structure of graphene layer 12 .…”

mentioning

confidence: 99%

Tunable Electronic, Optical, and Thermal Properties of two- dimensional Germanene via an external electric field

Chegel

Behzad

2020

Sci Rep

View full text Add to dashboard Cite

in this paper, we present a tight-binding model based on Dft calculations for investigation the electronic and optical properties of monolayer Germanene. the thermal properties are investigated using Green function method. the required tight binding parameters including the onsite energies and third nearest neighbors hopping and overlap integrals are obtained based on our Dft calculations. Germanene is a semiconductor with zero band gap and linear band dispersion around the K point. the band gap opening occurs in the presence of bias voltage. the band gap is increased linearly with increase of the bias voltage strength. The tight binding results for position of the two first peaks in the optical infrared region is same with the Dft results. By applying and increasing bias voltage, the dielectric function shows the blue shift by reduction the peak intensity in the energy range E < 1 eV. The thermal conductivity and heat capacity increase with increasing the temperature due to the increasing of thermal energy of charge carriers and excitation them to the conduction bands. the thermal properties of Germanene in the absence of bias U = 0 is larger than that U ≠ 0 and they decrease by further bias strength increasing, due to the increasing band gap with bias.Two-dimensional (2D) monolayer structures have been an active field of research due to their electronic, optical, and thermal properties. Graphene is a planar atomic layer of carbon atoms which they are arranged in a honeycomb lattice with 1.42 A° interatomic distance between two adjacent C atoms. Graphene has been an active field of research due to its important physical properties such as electronic structure with gapless properties, room temperature quantum Hall effects 1 and high intrinsic mobility 2 .In the graphene, the existence of a zero gap is due to the crossing between the valence and conduction bands at the K point (Dirac point). Near the K point, graphene exhibits linear energy dispersion in terms of momentum and its charge carriers behave as relativistic massless Dirac fermions described by a Dirac-like equation 3 . Note that, Materials with a zero band gap energy exhibit some fascinating and superior electronic properties compared to materials with a non-zero energy gap and they have intriguing physical properties and numerous potential practical applications in spintronics, electronics, optics and sensors 4 . The Dirac Spin-gapless semiconductors, have high carrier mobility and due to their real massless fermions and dissipation-less transport properties, they are regarded as promising candidates for applications in ultra-fast and ultra-low-power spintronic devices 5,6 .Several studies on electronic and optical properties of monolayer graphene have been reported via Density functional Theory (DFT) and Tight binding Theory (TB) 7-11 . Due to the zero band gap in graphene, the light absorption occurs in a wide range of spectra from infrared (IR) to ultraviolet which lead to the use of graphene in electro-optical devices. Using the first nearest neigh...

show abstract

“…It is well established that electronic and optical properties are interdependent. Therefore, the modulation of band structure can also be realized from the optical responses [8] for different graphene like systems [9]. Another favorable approach in band gap engineering is to reduce the dimension of graphene by proper structural tailoring [10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

Effect and Characterization of Stone–Wales Defects on Graphene Quantum Dot: A First-Principles Study

Chakraborti¹,

Bandyopadhyay

Jana

2018

Condensed Matter

Self Cite

View full text Add to dashboard Cite

A first principles based density functional theory (DFT) has been employed to identify the signature of Stone-Wales (SW) defects in semiconducting graphene quantum dot (GQD). Results show that the G mode in the Raman spectra of GQD has been red shifted to 1544.21 cm −1 in the presence of 2.08% SW defect concentration. In addition, the intensity ratio between a robust low intense contraction-elongation mode and G mode is found to be reduced for the defected structure. We have also observed a Raman mode at 1674.04 cm −1 due to the solo contribution of the defected bond. The increase in defect concentration, however, reduces the stability of the structures. As a consequence, the systems undergo structural buckling due to the presence of SW defect generated additional stresses. We have further explored that the 1615.45 cm −1 Raman mode and 1619.29 cm −1 infra-red mode are due to the collective stretching of two distinct SW defects separated at a distance 7.98 Å. Therefore, this is the smallest separation between the SW defects for their distinct existence. The pristine structure possesses maximum electrical conductivity and the same reduces to 0.37 times for 2.08% SW defect. On the other hand, the work function is reduced in the presence of defects except for the structure with SW defects separated at 7.98 Å. All these results will serve as an important reference to facilitate the potential applications of GQD based nano-devices with inherent topological SW defects.

show abstract

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

Cited by 177 publications

References 319 publications

Prospects of spintronics based on 2D materials

Prospects of spintronics based on 2D materials

Tunable Electronic, Optical, and Thermal Properties of two- dimensional Germanene via an external electric field

Effect and Characterization of Stone–Wales Defects on Graphene Quantum Dot: A First-Principles Study

Contact Info

Product

Resources

About