Effects of electron–electron interaction on the collinear indirect exchange coupling in graphene nanoflakes

Using the Hubbard model in the framework of the tight-binding formulation, we studied the effects of the electron–electron (e–e) interaction on the indirect magnetic exchange coupling between the magnetic impurities embedded in triangular graphene nanoflakes. The results show that the magnitude of the coupling enhances in the presence of the e–e interaction and Rashba spin–orbit interaction (RSOI). The RKKY coupling magnitude depends on the impurity positions in nanoflake and the size of the system, as well.     

Indirect exchange interaction in semiconductors

We study theoretically the nature of the indirect exchange interaction between localized moments in a semiconductor, mediated by the spin-dependent spatial polarization of the valence band electrons. The interaction drops off exponentially with the inter-spin distance and the decay constant depends on the energy gap and carrier effective masses. The sign of the interaction is ferromagnetic within our simplified model but could be reversed for some more complicated band edge structures.     

Strain enhanced exchange interaction between impurities in graphene

We study the effect of strain on the exchange interaction between two magnetic impurities in graphene. We calculate the exchange integrals between the impurities using a Green function technique. The calculation results indicate that strain may remarkably enhance the exchange interaction between the impurities within small distance. We explain the micromechanism of generating this phenomenon.     

Quantum plasmon enhanced nonlinear wave mixing in graphene nanoflakes

A distant-neighbor quantum-mechanical method is used to study the nonlinear optical wave mixing in graphene nanoflakes(GNFs),including sum-and difference-frequency generation,as well as four-wave mixing.Our analysis shows that molecular-scale GNFs support quantum plasmons in the visible spectrum region,and significant enhancement of nonlinear optical wave mixing is achieved.Specifically,the second-and third-order wave-mixing polarizabilities of GNFs are dramatically enhanced,provided that one(or more) of the input or output frequencies coincide with a quantum plasmon resonance.Moreover,by embedding a cavity into hexagonal GNFs,we show that one can break the structural inversion symmetry and enable otherwise forbidden second-order wave mixing,which is found to be enhanced by the quantum plasmon resonance too.This study reveals that the molecular-sized graphene could be used in the quantum regime for nanoscale nonlinear optical devices and ultrasensitive molecular sensors.     

Electronic and magnetic properties of hydrogenated graphene nanoflakes

We investigated the energetic stability, electronic, and magnetic properties of hydrogenated graphene nanoflakes (GNFs) by using density-functional theory (DFT). Hydrogenated GNFs were found to be the stable heterojunction structures. As the increase of H coverage, a transition of a small-gap semiconductor to wide-gap semiconductor occurs, accompanied with a nonmagnetic (with the coverage χ=0$\chi =0$) → magnetic (with the coverage 0<χ<1$0<\chi <1$) → nonmagnetic (with the coverage χ=1$\chi =1$) transfer for hexagonal nanoflakes and magnetic (with the coverage 0?χ<1$0?\chi <1$) → nonmagnetic (with the coverage χ=1$\chi =1$) transfer for triangular nanoflakes. The efficacious tune of band gaps and the magnetic moments on these nanoflakes by hydrogenation offers an effectual avenue for the applications of C-based nanomagnets.     

Indirect magnetic exchange interaction mediated by bound Landau states in 2DES

The possibility of indirect exchange coupling mediated by Landau electrons bound to magnetic impurities in 2DES is studied here. The importance of the resonance scattering of the Landau electrons with the impurities is emphasized due to its spin selectivity which results in strong spin polarization of the localized Landau states. The bound Landau states act as mediators of the superexchange interaction resulting in an antiferromagnetic interaction between the nuclear spins of the impurities. The coupling constant, between these nuclear spins, J, is presented for the case of a weak scattering limit and found to depend strongly on the ratio of the impurity separation over the magnetic length. Possible applications of these results may include a long-range mechanism for coupling between two nuclear spins to be used as a qubits interaction with a spacing distance of the order of the magnetic length.     

石墨烯纳米片大自旋特性第一性原理研究

通过基于密度泛函理论的全电子数值轨道第一性原理电子结构计算,研究了各种形状有限石墨烯片段(石墨烯纳米片, GNF)的磁特性,证明GNF的自旋磁有序来源于由其形状决定的π键拓扑挫折(topological frustration)作用.锯齿形边缘的三角形GNF的净自旋不为零,如同一个人造铁磁性原子团,总自旋随尺度线性增加.根据拓扑挫折原理,可以在GNF中引入较大的净自旋和独特的自旋分布,如由三角形GNF单元构成的复杂分形结构,总自旋随分形级数呈指数上升.通过刻蚀技术制作具有一定拓扑结构的GNF可以实现可控自旋电子纳米材料和器件应用.     

石墨烯纳米片磁有序和自旋逻辑器件第一原理研究

尺寸效应和拓扑阻挫能够在有限石墨烯纳米片段中形成磁有序,本文对能够产生大自旋或电子自旋反铁磁耦合的石墨烯有限片段进行合理分类,提出几种能够作为基本逻辑门的特殊结构并对其进行第一原理电子结构计算,为设计高密度超快自旋器件提供了有效方案和理论依据.计算结果证明：基于有限石墨烯片段的逻辑门结构能够在室温下进行错误率较低的可纠错运算.     

Strain-modulated ultrafast magneto-optic dynamics of graphene nanoflakes decorated with transition-metal atoms

We perform first-principles calculations and coherent laser-matter interaction analyses to investigate the laser-induced ultrafast spin flip on graphene nanoflakes(GNFs) with transition metal elements attached on the boundary [TMGNFs(TM = Fe, Co, Ni)]. It is shown that the spin-flip process on TMGNFs is highly influenced by the involved element species and the position attached to the nanoflakes. Furthermore, taking NiGNF as an example, the first-principles tensile test predicts that the variation of the C–Ni bond length plays an important role in the spin density distribution, especially for the low-lying magnetic states, and can therefore dominate the spin-flip processes. The fastest spin-flip scenario is achieved within 80 fs in a NiGNF structure under 10% tensile strain along the C–Ni bond. The local deformation modulation of spin flip provides the precursory guidance for further study of ultrafast magnetization control in GNFs, which could lead to potential applications in future integrated straintronic devices.     

Influence of oxygen impurities on the electronic properties of graphene nanoflakes

Controlled chemical doping with oxygen impurities is a promising approach for the electronic band engineering of graphene nanoflakes (GNFs). Based on the first-principles of the density functional theory (DFT) calculations, we investigated the effect of various consternations of substitutional impurities from oxygen atoms on the electronic properties of GNFs. Our results show that the electronic properties of GNFs do not only depend on the oxygen impurity concentrations, but also depend on the geometrical pattern of oxygen impurities in the GNFs. Additionally, we also found interesting electronic properties of GNFs structure, which significantly contribute to that oxygen dopants cause a decreased energy gap. So, our results suggest that substitutional impurities are the best viable option for enhancement of desired electronic properties of GNFs.     

Indirect exchange in the molecular field model

The high temperature magnetic behaviour of systems with indirect exchange is derived from a molecular field model. The method is applied to R.E. intermetallics with two sublattices such as R.E. Fe₂.     

RKKY interaction in AB-stacked multilayer graphene

The RKKY interaction between two magnetic impurities absorbed on the surface layer of half-filled AB-stacked multilayer graphene (ABSMLG) is theoretically studied based on the lattice Green's function technique. In comparison with the case of monolayer graphene, the RKKY interaction in such multilayer graphene presents distinct properties in some aspects. Firstly, from the numerical results, we find that the thickness of the ABSMLG influences the RKKY interaction in a complicated manner, depending on the odd/even parity of the number of layers and the sublattice attribution of the positions of the two magnetic impurities. Then, we derive the asymptotic expressions of the RKKY interactions in ABSMLG in the long-distance limit. For even-layered ABSMLG, we find that the RKKY interactions of the 1A-1A, 1B-1A and 1B-1B couplings fall off as 1/R(2), 1/R(4) and 1/R(6) (1A and 1B stand for, respectively, the sublattice points in the surface layer, which are positioned directly on the plaquette and on a lattice point of the layer underneath). On the other hand, in odd-layered ABSMLG, the decays of these interactions follow the 1/R(2), 1/R(3) and 1/R(3) power laws respectively. In addition, we also find that these analytical expressions are quantitatively valid to describe the RKKY interaction in ABSMLG when the distance between the two magnetic impurities is larger than the lattice constant of graphene by one order of magnitude.     

Effect of non-uniform exchange field in ferromagnetic graphene

We have presented here the consequences of the non-uniform exchange field on the spin transport issues in spin chiral configuration of ferromagnetic graphene. Taking resort to the spin–orbit coupling (SOC) term and non-uniform exchange coupling term we are successful to express the expression of Hall conductivity in terms of the exchange field and SOC parameters through the Kubo formula approach. However, for a specific configuration of the exchange parameter we have evaluated the Berry curvature of the system. We also have paid attention to the study of SU(2) gauge theory of ferromagnetic graphene. The generation of anti damping spin–orbit torque in spin chiral magnetic graphene is also briefly discussed.     

Coulomb interaction and semimetal-insulator transition in graphene

The strong Coulomb interaction between massless Dirac fermions can drive a semimetal-insulator transition in single-layer graphene by dynamically generating an excitonic fermion gap. There is a critical interaction strength λc that separates the semimetal phase from the insulator phase. We calculate the specific heat and susceptibility of the system and show that they exhibit distinct behaviors in the semimetal and insulator phases.     

Electron-electron interaction in the magnetoresistance of graphene

We investigate the magnetotransport in large area graphene Hall bars epitaxially grown on silicon carbide. In the intermediate field regime between weak localization and Landau quantization, the observed temperature-dependent parabolic magnetoresistivity is a manifestation of the electron-electron interaction. We can consistently describe the data with a model for diffusive (magneto)transport that also includes magnetic-field-dependent effects originating from ballistic time scales. We find an excellent agreement between the experimentally observed temperature dependence of magnetoresistivity and the theory of electron-electron interaction in the diffusive regime. We can further assign a temperature-driven crossover to the reduction of the multiplet modes contributing to electron-electron interaction from 7 to 3 due to intervalley scattering. In addition, we find a temperature-independent ballistic contribution to the magnetoresistivity in classically strong magnetic fields.     

Rashba spin-orbit interaction in graphene armchair nanoribbons

We study graphene nanoribbons (GNRs) with armchair edges in the presence of Rashba spin- orbit interactions (RSOI). We impose the boundary conditions on the tight binding Hamiltonians for bulk graphene with RSOI by means of a sine transform and study the influence of RSOI on the spectra and the spin polarization in detail. We derive the low energy approximation of the RSOI Hamiltonian for the zeroth and first order in momentum and test their ranges of validity. The choice of a basis appropriate for armchair boundaries is important in the case of mode-coupling effects and leads to results that are easy to work with.     

Indirect interaction of nuclear spins in chiral magnets

The effective Hamiltonian of the Suhl-Nakamura interaction of nuclear spins in a helimagnet has been constructed for the case where an external magnetic field is applied perpendicular to the axis of the helicoid. The contribution from the intraboundary and intradomain spin excitations to the parameter and effective radius of this interaction has been calculated. The second moment and local broadening of the NMR absorption line, which are determined by the indirect interaction of the nuclear spins, have also been calculated.     

Wave-vector-dependent exciton exchange interaction

The exchange interaction for the yellow 1S orthoexciton in Cu2O is derived up to the order K2. The resulting exchange splittings are verified experimentally using high resolution spectroscopy. In agreement with theory the fine structure shows a characteristic dependence on the direction of the wave vector.