Rise of silicene: A competitive 2D material

Heteroatom doped graphene in photocatalysis: A review

2D van der Waals (vdW) magnets, which present intrinsic ferromagnetic/antiferromagnetic ground states at finite temperatures down to atomic-layer thicknesses, open a new horizon in materials science and enable the potential development of new spin-related applications. The layered structure of vdW magnets facilitates their atomic-layer cleavability and magnetic anisotropy, which counteracts spin fluctuations, thereby providing an ideal platform for theoretically and experimentally exploring magnetic phase transitions in the 2D limit. With reduced dimensions, the susceptibility of 2D magnets to a large variety of external stimuli also makes them more promising than their bulk counterpart in various device applications. Here, the current status of characterization and tuning of the magnetic properties of 2D vdW magnets, particularly the atomic-layer thickness, is presented. Various state-of-the-art optical and electrical techniques have been applied to reveal the magnetic states of 2D vdW magnets. Other emerging 2D vdW magnets and future perspectives on the stacking strategy are also given; it is believed that they will excite more intensive research and provide unprecedented opportunities in the field of spintronics.

Intrinsic Van Der Waals Magnetic Materials from Bulk to the 2D Limit: New Frontiers of Spintronics.

Recent progress on graphene-analogous 2D nanomaterials: Properties, modeling and applications

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

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Prospects of spintronics based on 2D materials

Ab-initio calculation of electronic and optical properties of nitrogen and boron doped graphene nanosheet

Present work reports the modifications of band structure and density of states of graphene nanosheet by substitutional co-doping of boron (B) and nitrogen (N) in the pristine graphene system. Using ab-initio density functional theory (DFT) we show that the doping position plays an important key role to determine the band-gap in the graphene system. Co-doping of B and N at different sub-lattice positions in the planar graphene structure results different modifications in the band structure and density of states (DOS). Particular choice of sub-lattice doping position of B and N yields a finite value of band gap.

Semi-metallic to semiconducting transition in graphene nanosheet with site specific co-doping of boron and nitrogen

We study here the magnetic properties of two dimensional silicene using spin polarized density functional theory. The magnetic properties were studied by introducing monovacancy and di-vacancy, as well as by doping phosphorous and aluminium into the pristine silicene. It is observed that there is no magnetism in the monovacancy system, while there is large significant magnetic moment present for the di-vacancy system. Besides, the numerical computation reveals that the magnitude of the magnetic moment is more when the system is doped with aluminium than phosphorous. All these theoretical predictions in this two dimensional system may shed light to open a new route to design silicon based nano-structures in spintronics.

Defect induced magnetism in planar silicene: a first principles study

Room temperature ferromagnetic ordering has been observed in a high purity polycrystalline SnO2 sample due to irradiation of 96 MeV oxygen ions. Ab initio density functional theory calculation indicates that tin vacancies are mainly responsible for inducing the magnetic moment in SnO2 whereas oxygen vacancies in SnO2 do not contribute any magnetic moment. Positron annihilation spectroscopy has been employed to characterize the chemical identity of irradiation generated defects in SnO2. Results indicate the dominant presence of Sn vacancies in O ion irradiated SnO2. The irradiated sample turns out to be ferromagnetic at room temperature.

Palash Nath

Papers

Ab-initio calculation of electronic and optical properties of nitrogen and boron doped graphene nanosheet

Semi-metallic to semiconducting transition in graphene nanosheet with site specific co-doping of boron and nitrogen

Defect induced magnetism in planar silicene: a first principles study

Defect driven ferromagnetism in SnO2: a combined study using density functional theory and positron annihilation spectroscopy

Ab-initio calculation of optical properties of AA-stacked bilayer graphene with tunable layer separation