Spin Valve Effect of 2D‐Materials Based Magnetic Junctions

The magnetotransport properties of spin valve structure are highly influenced by the type of intervening layer inserted between the ferromagnetic electrodes. In this scenario, spin filtering effect at the interfaces plays a crucial role in determining the magnetoresistance (MR) of such magnetic structures, which can be enhanced by using a suitable intervening layer. Here, the authors investigate the spin filtering effect of the two‐dimensional layers such as hexagonal boron nitride (hBN), graphene (Gr), and Gr‐hBN hybrid system for modifying the magnetotransport characteristics of the vertical spin valve architectures (Ni/hBN/Ni, Ni/Gr/Ni, and Ni/Gr‐hBN/Ni). Compared to graphene, hBN incorporated magnetic junction reveals higher MR and spin polarizations (P) suggesting better spin filtering at the interfaces. The MR for hBN incorporated junction is calculated to be ≈0.83%, while that of graphene junction it is estimated to be ≈0.16%. Similar contrast is observed in the ‘P’ of ferromagnets (FMs) for the two junctions, that is, ≈6.4% for hBN based magnetic junction and ≈2.8% for graphene device. However, for Gr‐hBN device, the signal not only get inverts, but it also suggests efficient spin filtering mechanism at the FM interfaces. Their results can be useful to comprehend the origin of spin filtering and the choice of non‐magnetic spacer for magnetotransport characteristics.

     

Band gap of strained graphene nanoribbons

The band structures of strained graphene nanoribbons (GNRs) are examined using a tight-binding Hamiltonian that is directly related to the type and magnitude of strain. Compared to a two-dimensional graphene whose band gap remains close to zero even if a large strain is applied, the band gap of a graphene nanoribbon (GNR) is sensitive to both uniaxial and shear strains. The effect of strain on the electronic structure of a GNR depends strongly on its edge shape and structural indices. For an armchair GNR, a weak uniaxial strain changes the band gap in a linear fashion, whereas a large strain results in periodic oscillation of the band gap. On the other hand, shear strain always tends to reduce the band gap. For a zigzag GNR, the effect of strain is to change the spin polarization at the edges of GNR, and thereby modulate the band gap. A simple analytical model, which agrees with the numerical results, is proposed to interpret the response of the band gap to strain in armchair GNRs.      

Structural, electronic and magnetic properties of manganese doping in the upper layer of bilayer graphene

First-principles spin-polarized calculations have been conducted to investigate the structural, electronic and magnetic properties of 3d transition metal Mn doping into two typical sites in the upper layer of bilayer graphene with the AB Bernal structure. One of the doping sites is above the center of a carbon hexagon of the lower graphene layer (called the H site) and the other is directly on top of a carbon atom of the lower graphene layer (called the T site). We found that Mn doping enlarges the interlayer distance in bilayer graphene. Charge density distribution indicates that the region between the upper and lower graphene layer has apparent covalent-bonding characters due to the Mn doping. In the spin-polarized band structure of H?site doping, the π and π(*) bands separate from each other at the Dirac point both in majority spin and minority spin. In the band structure of T site doping, the Fermi level is located above the Dirac point and moves to the conduction bands in majority spin and minority spin, making the bilayer graphene n doped. A high spin polarization of 95% is achieved due to the H site doping. The local moment of Mn for H and T site doping is reduced to 1.76?μ(B) and 1.88?μ(B), respectively, which are smaller than the value (5?μ(B)) in the free state.     

Orientation‐Dependent Strain Relaxation and Chemical Functionalization of Graphene on a Cu(111) Foil

Epitaxial graphene grown on single crystal Cu(111) foils by chemical vapor deposition is found to be free of wrinkles and under biaxial compressive strain. The compressive strain in the epitaxial regions (0.25–0.40%) is higher than regions where the graphene is not epitaxial with the underlying surface (0.20–0.25%). This orientation‐dependent strain relaxation is through the loss of local adhesion and the generation of graphene wrinkles. Density functional theory calculations suggest a large frictional force between the epitaxial graphene and the Cu(111) substrate, and this is therefore an energy barrier to the formation of wrinkles in the graphene. Enhanced chemical reactivity is found in epitaxial graphene on Cu(111) foils as compared to graphene on polycrystalline Cu foils for certain chemical reactions. A higher compressive strain possibly favors lowering the formation energy and/or the energy gap between the initial and transition states, either of which can lead to an increase in chemical reactivity.     

石墨烯能带结构调控的第一性原理研究

采用第一性原理方法,系统研究了单轴应变状态下纳米级孔洞和层数对石墨烯能带结构的影响,结果表明,其带隙不但与层数的奇偶性有关,而且对单轴应变的大小和孔洞存在与否非常敏感,这些均可归因于层间/层内结构的不对称性。     

Large edge magnetism in oxidized few-layer black phosphorus nanomeshes

The formation and control of a room-temperature magnetic order in twodimensional (2D) materials is a challenging quest for the advent of innovative magnetic-and spintronic-based technologies.To date,edge magnetism in 2D materials has been experimentally observed in hydrogen (H)-terminated graphene nanoribbons (GNRs) and graphene nanomeshes (GNMs),but the measured magnetization remains far too small to allow envisioning practical applications.Herein,we report experimental evidences of large room-temperature edge ferromagnetism (FM) obtained from oxygen (O)-terminated zigzag pore edges of few-layer black phosphorus (P) nanomeshes (BPNMs).The magnetization values per unit area are ～100 times larger than those reported for H-terminated GNMs,while the magnetism is absent for H-terminated BPNMs.The magnetization measurements and the first-principles simulations suggest that the origin of such a magnetic order could stem from ferromagnetic spin coupling between edge P with O atoms,resulting in a strong spin localization at the edge valence band,and from uniform oxidation of full pore edges over a large area and interlayer spin interaction.Our findings pave the way for realizing high-efficiency 2D flexible magnetic and spintronic devices without the use of rare magnetic elements.     

A facile method for fabrication of large area graphene nanostructures

In this study, we introduce a novel method to produce large area interconnected graphene nanostructures. A single layer CVD (Chemical Vapor Deposition) grown graphene was nanostructured by employing dewetted Ni thin film as an etching mask for the underlying graphene. As a result, a network of graphene nanostructures with irregular shapes and widths down to 10 nm is obtained. The FET (field effect transistor) devices fabricated employing the nanostructured graphene as channel material exhibit increased on/off current ratio compared to pristine graphene indicating a slight band gap opening due to the quantum confinement effect in such narrow graphene nanostructures. This technique can be useful for the large scale fabrication of graphene based electronic devices such as FETs and sensors.     

Synthesis of large area, homogeneous, single layer graphene films by annealing amorphous carbon on Co and Ni

The synthesis of large area, homogenous, single layer graphene on cobalt (Co) and nickel (Ni) is reported. The process involves vacuum annealing of sputtered amorphous carbon (a-C) deposited on Co/sapphire or Ni/sapphire substrates. The improved crystallinity of the metal film, assisted by the sapphire substrate, proves to be the key to the quality of as-grown graphene film. The crystallinity of the Co and Ni metal films was improved by sputtering the metal at elevated temperature as was verified by X-ray diffraction (XRD). After sputtering of a-C and annealing, large area, single layer graphene that occupies almost the entire area of the substrate was produced. With this method, 100 mm²-area single layer graphene can be synthesized and is limited only by the substrate and vacuum chamber size. The homogeneity of the graphene film is not dependent on the cooling rate, in contrast to syntheses using polycrystalline metal films and conventional chemical vapor deposition (CVD) growth. Our facile method of producing single layer graphene on Co and Ni metal films should lead to large scale graphene-based applications.     

On‐Surface Synthesis of 8‐ and 10‐Armchair Graphene Nanoribbons

Armchair graphene nanoribbons (AGNRs) with 8 and 10 carbon atoms in width (8‐ and 10‐AGNRs) are synthesized on Au (111) surfaces via lateral fusion of nanoribbons that belong to different subfamilies. Poly‐para‐phenylene (3‐AGNR) chains are pre‐synthesized as ladder ribbons on Au (111). Subsequently, synthesized 5‐ and 7‐AGNRs can laterally fuse with 3‐AGNRs upon annealing at higher temperature, producing 8‐ and 10‐AGNRs, respectively. The synthetic process, and their geometric and electronic structures are characterized by scanning tunneling microscopy/spectroscopy (STM/STS). STS investigations reveal the band gap of 10‐AGNR (2.0 ± 0.1 eV) and a large apparent band gap of 8‐AGNRs (2.3 ± 0.1 eV) on Au (111) surface.     

First-principles calculations on the electronic structure of FeS

Spin-polarized first-principles band structure calculations have been performed for antiferromagnetic FeS. The experimental band gap of 0.04 eV is not opened in the local spin density approximation (LSDA) density of states but a marked dip appears at the Fermi energy located within the t_2g minority subband. The result is a consequence of the octahedral surroundings which split the minority t_2g states into one low-lying state and two degenerate states higher in energy. The dip can be enlarged to a small gap for very low U values when the Hubbard correction is employed. The calculated magnetic moment of 3.5μ_B is close to the value of 4μ_B deduced from the ionic model. The density of states (DOSs) compares satisfactorily with the photoemission and bremsstrahlung isochromat spectroscopy (BIS) spectra.     

Half-Metallic Magnetism of Quaternary Heusler Compounds Co2Fe x Mn1−x Si(x =0,0.5, and 1.0): First-Principles Calculations

Using first-principles calculations, the structural, electronic, and magnetic properties of ferromagnetic half-metallic full-Heusler Co₂FeSi, Co₂MnSi and Co₂ Fe _0.5Mn _0.5Si alloy via the full-potential linearized augmented plane-wave (FP-LAPW) method in the generalized gradient (GGA) and GGA + U approximations are compared with other experimental and theoretical results. The electronic band structures and density of states (DOS) of the compounds indicate they are half metallic because of the existence of the energy gap in the minority spin (DOS and band structure), which yields perfect spin polarization. The half metallicity of the obtained material may prove useful for applications in spin-polarizers and spin-injectors of magnetic nanodevices. The calculated total spin magnetic moments are almost exactly that expected from the Slater-Pauling rule.     

Different growth behaviors of ambient pressure chemical vapor deposition graphene on Ni(111) and Ni films: A scanning tunneling microscopy study

Graphene growth on the same metal substrate with different crystal morphologies, such as single crystalline and polycrystalline, may involve different mechanisms. We deal with this issue by preparing graphene on single crystal Ni(111) and on ∼300 nm thick Ni films on SiO₂ using an ambient pressure chemical vapor deposition (APCVD) method, and analyze the different growth behaviors for different growth parameters by atomically-resolved scanning tunneling microscopy (STM) and complementary macroscopic analysis methods. Interestingly, we obtained monolayer graphene on Ni(111), and multilayer graphene on Ni films under the same growth conditions. Based on the experimental results, it is proposed that the graphene growth on Ni(111) is strongly templated by the Ni(111) lattice due to the strong Ni-C interactions, leading to monolayer graphene growth. Multilayer graphene flakes formed on polycrystalline Ni films are usually stacked with deviations from the Bernal stacking type and show small rotations among the carbon layers. Considering the different substrate features, the inevitable grain boundaries on polycrystalline Ni films are considered to serve as the growth fronts for bilayer and even multilayer graphene.      

Observation of Exchange Interaction in Iron(II) Spin Crossover Molecules in Contact with Passivated Ferromagnetic Surface of Co/Au(111)

Spin crossover (SCO) complexes sensitively react on changes of the environment by a change in the spin of the central metallic ion making them ideal candidates for molecular spintronics. In particular, the composite of SCO complexes and ferromagnetic (FM) surfaces would allow spin-state switching of the molecules in combination with the magnetic exchange interaction to the magnetic substrate. Unfortunately, when depositing SCO complexes on ferromagnetic surfaces, spin-state switching is blocked by the relatively strong interaction between the adsorbed molecules and the surface. Here, the Fe(II) SCO complex [Fe^II(Pyrz)₂] (Pyrz = 3,5-dimethylpyrazolylborate) with sub-monolayer thickness in contact with a passivated FM film of Co on Au(111) is studied. In this case, the molecules preserve thermal spin crossover and at the same time the high-spin species show a sizable exchange interaction of > 0.9 T with the FM Co substrate. These observations provide a feasible design strategy in fabricating SCO-FM hybrid devices.     

Spin Carrier Exchange Interactions in (Ga,Mn)N and (Zn,Co)O Wide Band Gap Diluted Magnetic Semiconductor Epilayers

(Ga,Mn)N and (Zn,Co)O wide band gap diluted magnetic semiconductor epilayers have been investigated by magneto-optical spectroscopy. In both cases, absorption bands observed below the energy gap allow us to study the nature of the valence and spin state of the incorporated magnetic element. Exchange interactions between magnetic ions and carriers can be observed by analyzing the magnetic circular dichroism in transmission or the exciton Zeeman splitting in reflection for (Zn,Co)O. A first estimation of the exchange integrals can be given for both materials.     

Growth of cobalt–nickel layered double hydroxide on nitrogen-doped graphene by simple co-precipitation method for supercapacitor electrodes

Nitrogen-doped graphene/Co–Ni layered double hydroxide (RGN/Co–Ni LDH) is synthesized by a facile co-precipitation method. Transmission electron microscopy images indicated that the formation of Co–Ni(OH)₂ nanoflakes with the good dispersion anchored on the surfaces of the nitrogen-doped graphene sheets. The nitrogen-doped graphene composites delivered the enhanced electrochemical performances compared to the pure Co–Ni LDH due to the improved electronic conductivity and its hierarchical layer structures. The high specific capacitance of 2092 F g^?1 at current density of 5 mA cm^?2 and the rate retention of 86.5% at current density of 5–50 mA cm^?2 are achieved by RGN/Co–Ni LDH, higher than that of pure Co–Ni LDH (1479 F g^?1 and 76.5%). Moreover, the two-electrode asymmetric supercapacitor, with the RGN/Co–Ni LDH composites as the positive electrode and active carbon as the negative electrode material, exhibits energy density of 49.4 Wh kg^?1 and power density of 101.97 W kg^?1 at the current density of 5 mA cm^?2, indicating the composite has better capacitive behavior.     

The half-metallicity of zigzag graphene nanoribbons with asymmetric edge terminations

The spin-polarized electronic structure and half-metallicity of zigzag graphene nanoribbons (ZGNRs) with asymmetric edge terminations are investigated by using first-principles calculations. It is found that compared with symmetric hydrogen-terminated counterparts, such ZGNRs maintain a spin-polarized ground state with the anti-ferromagnetic configuration at opposite edges, but their energy bands are no longer spin degenerate. In particular, the energy gap of one spin orientation decreases remarkably. Consequently, the ground state of such ZGNRs is very close to half-metallic state, and thus a smaller critical electric field is required for the systems to achieve the half-metallic state. Moreover, two kinds of studied ZGNRs present massless Dirac-fermion band structure when they behave like half-metals.     

Synthesis and study of the structure,magnetic, optical and methane gas sensing properties of cobalt doped zinc oxide microstructures

Undoped and Cobalt (Co) doped zinc oxide (ZnO & CZx) nanoparticles were synthesized by Solvothermal method. The samples were studied by X-Ray Diffraction (XRD), Energy Dispersive X-ray Spectroscopy (EDS), Inductively Coupled Plasma Atomic Emission Spectroscopy (ICP-AES), UV–Vis spectroscopy and Scanning and Transmission Electron Microscopy (SEM & TEM). Moreover the gas sensing properties of the nanoparticles for methane gas took place. Purity of the samples and Co concentration was investigated by EDS and ICP spectroscopy respectively. XRD results described the hexagonal wurtzite structure for all the samples in which crystallinity and the crystallites size decreased with increase of Co doping level. Using UV–Vis spectroscopy the band gap energy was evaluated and redshift of band gap energy was observed by increasing of Co concentration. SEM images demonstrated that nanoparticles were agglomerated with increase of Co doping level. TEM images revealed the nanoparticles size in the range 11–44 nm. Methane sensing properties was enhanced after Co doping of the ZnO nanoparticles for Co concentration up to 4%.     

Toward tunable band gap and tunable dirac point in bilayer graphene with molecular doping

The bilayer graphene has attracted considerable attention for potential applications in future electronics and optoelectronics because of the feasibility to tune its band gap with a vertical displacement field to break the inversion symmetry. Surface chemical doping in bilayer graphene can induce an additional offset voltage to fundamentally affect the vertical displacement field and the band gap opening in bilayer graphene. In this study, we investigate the effect of chemical molecular doping on band gap opening in bilayer graphene devices with single or dual gate modulation. Chemical doping with benzyl viologen molecules modulates the displacement field to allow the opening of a transport band gap and the increase of the on/off ratio in the bilayer graphene transistors. Additionally, Fermi energy level in the opened gap can be rationally controlled by the amount of molecular doping to obtain bilayer graphene transistors with tunable Dirac points, which can be readily configured into functional devices, such as complementary inverters.     

Patterned Growth of Graphene over Epitaxial Catalyst

Rectangle‐ and triangle‐shaped microscale graphene films are grown on epitaxial Co films deposited on single‐crystal MgO substrates with (001) and (111) planes, respectively. A thin film of Co or Ni metal is epitaxially deposited on a MgO substrate by sputtering while heating the substrate. Thermal decomposition of polystyrene over this epitaxial metal film in vacuum gives rectangular or triangular pit structures whose orientation and shape are strongly dependent on the crystallographic orientation of the MgO substrate. Raman mapping measurements indicate preferential formation of few‐layer graphene films inside these pits. The rectangular graphene films are transferred onto a SiO₂/Si substrate while maintaining the original shape and field‐effect transistors are fabricated using the transferred films. These findings on the formation of rectangular/triangular graphene give new insights on the formation mechanism of graphene and can be applied for more advanced/controlled graphene growth.     

Dependence of GMR on NiFe layer thickness in high sensitive simple spin valve

The dependence of the giant magnetoresistance on Ni/sub 81/Fe/sub 19/ soft magnetic layer thickness is investigated experimentally for a simple spin valve with a top-pinned structure of Ta (6 nm)/Ni/sub 81/Fe/sub 19//Co/sub 90/Fe/sub 10/ (1 nm)/Cu (1.8 nm)/Co/sub 90/Fe/sub 10/ (3.5 nm)/Ir/sub 20/Mn/sub 80/ (8 nm)/Ta (6 nm). With Ni/sub 81/Fe/sub 19/ thickness increased from 6 nm to 7 nm, the magnetoresistance (MR) ratio decreases sharply from 8.34% to 3.34%, whereas it changes only slightly within the thickness ranges from 2-6 nm and from 7-12 nm, and larger MR ratios are obtained in the range from 2-6 nm. For a spin valve with an optimized thickness of Ir/sub 20/Mn/sub 80/ (11 nm) and top Ta (3 nm), the MR dependence is in accordance with the former structure when Ni/sub 81/Fe/sub 19/ thickness changes from 3.5 to 5.5 nm, and an optimized spin valve with 4.5-nm-thick Ni/sub 81/Fe/sub 19/ is obtained. This spin valve has a large MR ratio (9.15%), low coercive force (0.85 Oe), and high sensitivity, which makes it promising for applications.