Magnetism in quantum dots on graphene-graphane nanoribbons

The magnetic properties of quantum dots on a graphene nanoribbon are investigated in the context of the method of the generalized gradient approximation of spin-polarized density functional theory. It is shown that the antiferromagnetic ordering of magnetic moments is most stable for ribbons with periodic alternation of graphene-graphane nanosegments. When the graphene nanoribbon is separated by the rows of C atoms with hydrogen atoms adsorbed on them in the form of a two-periodic superlattice, the ferrimagnetic ordering in the coupled unequal quantum dots turns out to be most favorable.     

Spin-polarized transmission through a mesoscopic ring with a magnetic impurity

Based on one-dimensional quantum waveguide theory we study the symmetry of the spin-polarized transmission through an Aharonov–Bohm ring with a magnetic impurity, in which the spin-exchange interaction between an incident electron and the magnetic impurity leads to spin–flip scattering. It shows that for some special Fermi energies, both spin-up and spin-down transmission coefficients are symmetric under the flux reversal in the spin–flip scattering process and the spin-polarized conductance also is symmetric. In above case, AB oscillations of spin-down transmission and reflection are perfectly identical. The effect of the exchange interaction strength and Fermi wave vector on transmission behavior of spin-state electrons is examined.     

BN链掺杂的石墨烯纳米带的电学及磁学特性

基于密度泛函理论第一性原理系统研究了BN链掺杂石墨烯纳米带(GNRs)的电学及磁学特性, 对锯齿型石墨烯纳米带(ZGNRs)分非磁态(NM)、反铁磁态(AFM)及铁磁性(FM)三种情况分别进行考虑. 重点研究了单个BN链掺杂的位置效应. 计算发现: BN链掺杂扶手椅型石墨烯纳米带(AGNRs) 能使带隙增加, 不同位置的掺杂, 能使其成为带隙丰富的半导体. BN链掺杂非磁态ZGNR的不同位置, 其金属性均降低, 并能出现准金属的情况; BN链掺杂反铁磁态ZGNR, 能使其从半导体变为金属或半金属(half-metal), 这取决于掺杂的位置; BN链掺杂铁磁态ZGNR, 其金属性保持不变, 与掺杂位置无关. 这些结果表明: BN链掺杂能有效调控石墨烯纳米带的电子结构, 并形成丰富的电学及磁学特性, 这对于发展各种类型的石墨烯基纳米电子器件有重要意义. 关键词： 石墨烯纳米带 BN链掺杂 输运性质 自旋极化     

Spin-resolved splitting of Kondo resonances in the presence of RKKY-type coupling

We have performed spin-resolved measurements on a Kondo impurity in the presence of RKKY-type exchange coupling. By placing manganese phthalocyanine (MnPc) molecules on Fe-supported Pb islands, a Kondo system is devised which is exchange coupled to a magnetic substrate via conduction electrons in Pb, inducing spin splitting of the Kondo resonance. The spin-polarized nature of the split Kondo resonance and a spin filter effect induced by spin-flip inelastic electron tunneling are revealed by spin-polarized scanning tunneling microscopy and spectroscopy.     

掺杂三角形硼氮片的锯齿型石墨烯纳米带的磁电子学性质

利用基于密度泛函理论的第一性原理方法,研究了三角形BN片掺杂的锯齿型石墨烯纳米带(ZGNR)的磁电子学特性.研究表明:当处于无磁态时,不同位置掺杂的ZGNR都为金属;当处于铁磁态时,随着杂质位置由纳米带的一边移向另一边时,依次可以实现自旋金属-自旋半金属-自旋半导体的变化过程,且只要不在纳米带的边缘掺杂,掺杂的ZGNR就为自旋半金属;当处于反铁磁态时,在中间区域掺杂的ZGNR都为自旋金属,而在两边缘掺杂的ZGNR没有反铁磁态.掺杂ZGNR的结构稳定,在中间区域掺杂时反铁磁态是基态,而在边缘掺杂时铁磁态为基态.研究结果对于发展基于石墨烯的纳米电子器件具有重要意义.     

Thermally driven spin transport through a transverse-biased zigzag-edge graphene nanoribbon

In the framework of the Landauer-Büttiker formalism, we investigate coherent spin transport through a transverse-biased magnetic zigzag-edge graphene nanoribbon, with a temperature difference applied between the source and the drain. It is shown that a critical source temperature is needed to generate a spin-polarized current due to the presence of a forbidden transport gap. The magnitude of the obtained spin polarization exceeds 90% in a wide range of source temperatures, and its polarization direction could be changed by reversing the transverse electric field. We also find that, at fixed temperature difference, the spin-polarized current undergoes a transition from increasing to decreasing as the source temperature rises, which is attributed to the competition between the excited energy of electrons and the relative temperature difference. Moreover, by modulating the transverse electric field, the source temperature and the width of the ribbon, we can control the device to work well for generating a highly spin-polarized current.     

Hydrogen impurities and μSR in ferromagnetic Ni: A self-consistent calculation

We present the first spin-polarized band calculation for hydrogen impurities in ferromagnetic Ni. A set of impurity states is split off from the bottom of the Ni conduction bands. The impurities are effectively screened, and one electron per impurity is filled in states above the pure Ni Fermi energy. The work function is raised by hydrogenation, and the magnetic moment of the Ni atoms surrounding the impurity is reduced. The contact spin density at the impurity compares favourably with μSR data.     

Theoretical study of magnetic ordering and electronic properties of AgxAl1−x N compounds

Ferromagnetic ordering of silver impurities in the AlN semiconductor is predicted by plane-wave ultrasoft pseudopotential and spin-polarized calculations based on density functional theory (DFT). It was found that an Ag impurity atom led to a ferromagnetic ground state in Ag_0.0625Al_0.9375N, with a net magnetic moment of 1.95 μ_B per supercell. The nitrogen neighbors at the basal plane in the AgN₄ tetrahedron are found to be the main contributors to the magnetization. This magnetic behavior is different from the ones previously reported on transition metal (TM) based dilute magnetic semiconductor (DMS), where the magnetic moment of the TM atom impurity is higher than those of the anions bonded to it. The calculated electronic structure band reveals that the Ag-doped AlN is p-type ferromagnetic semiconductor with a spin-polarized impurity band in the AlN band gap. In addition, the calculated density of states reveals that the ferromagnetic ground state originates from the strong hybridization between 4d-Ag and 2p-N states. This study shows that 4d transition metals such as silver may also be considered as candidates for ferromagnetic dopants in semiconductors.     

Magnetic Impurity Band and Photoinduced Magnetic Phase Transition in Diluted Magnetic Semiconductors

Applying the dynamical coherent potential approximation (dynamical CPA) to a model of diluted magnetic semiconductors (DMSs), in which both random impurity distribution and thermal fluctuation of localized spins are taken into account, the spin-polarized band and the carrier spin polarization are calculated for various magnetizations. In order to clarify the role of impurity depth on the occurrence of ferromagnetism, three typical cases are investigated: (a) II-VI DMS, (b) deep impurity level, and (c) strong exchange interaction. The present study reveals that the impurity depth of magnetic ions strongly enhances the carrier spin polarization (CSP) and accordingly, leads to a high Curie temperature. This means that photoinduced ferromagnetism with high Curie temperature can be expected in a DMS with a deep impurity depth and strong exchange interaction.     

The Fano antiresonance effect in the current-voltage characteristics of a nanostructure with a single magnetic impurity

A theoretical investigation is performed of quantum coherent electron transport through a nanostructure that contains an impurity ion with an uncompensated magnetic moment. It is shown that the transmission coefficient of spin-polarized electrons has the Fano antiresonance. This effect appears as a result of exchange interaction between the spin of transmitted electron and the spin of impurity ion. It is shown that Fano antiresonance leads to a qualitative modification of the current-voltage characteristic of the structure responsible for the large value of magnetoresistance.     

Spin polarization of the current in a correlated one-dimensional conductor with an impurity

The spin transport as the current flows through an impurity in a one-dimensional conductor is analyzed. The interacting electrons are described in terms of the Luttinger liquid theory. Both the Coulomb and short-range interactions are considered; the latter appears when the gate screens the long-range part of the Coulomb potential. The cases of magnetic and nonmagnetic impurities are considered. It has been revealed that, for a magnetic impurity, the electric current flow induces the generation of the spin current, which has direct and alternating components. At low temperatures and voltages, the current can be completely spin-polarized. For a nonmagnetic impurity, the spin current generation is absent. The spin current flowing though the wire affects the current-voltage characteristic for both magnetic and nonmagnetic impurities. The results have been obtained for a rather strong electron-electron interaction.     

The defect impacts of zigzag SiC nanoribbons in the spin devices

In this work, electronic structures and spin transport characteristics of SiC zigzag nanoribbons with defects have been studied by spin-polarized first-principles calculations. It is found that the transport channel of the zigzag SiC nanoribbon device in parallel configurations is located in the edge of nanoribbons. The spin currents can be turned on or off by specific edge defects. As to the antiparallel configuration, all the SiC nanoribbon devices exhibit a perfect dual spin filtering effect, which is immune to the position of defects. By transmission spectra calculations, the corresponding mechanisms of these peculiar effects were explained. The results from this work might indicate a promising pathway for developing spin filters with SiC nanoribbons.     

Nonlinear Resonance upon the Excitation of a Magnetic Nanocylinder by a Spin-Polarized Current

JETP Letters - A nonlinear resonance excited by an alternating spin-polarized current in a ferromagnetic nanocylinder whose magnetization comprises a magnetic vortex is studied theoretically. The...     

Magnetization reversal process at atomic scale in systems with itinerant electrons

The magnetic response of itinerant electrons systems to an external magnetic field is investigated on the basis of a microscopic Hamiltonian from which the spin-polarized electronic structure is determined. The magnetic moment and grand thermodynamic potential of the d-electronic subsystem on a particular atomic site in the presence of the external field are calculated as a function of the moment's orientation for fixed electron configuration of its local environment. Self-consistent magnetic solutions strongly depend on the d-electron number, determined by the position of the d level relative to the Fermi energy. For parameters corresponding to α-Fe, two branches of self-consistent solutions with high and low magnetic moments are found. For parameters corresponding to bulk Cr, a Fe impurity in the Cr matrix and a Cr impurity in the Fe matrix, there are only low-spin solutions. The theory is also applied for describing magnetization reversal processes in exchange spring magnets. A slab of Fe was considered as a soft magnetic layer. The influence of the hard magnet is modeled by the inclusion of an external magnetic field applied to the interface Fe layers. The dependence of the hysteresis loop on the thickness of the Fe slab and on the value of the interface field is investigated.     

Interplay between edge states and simple bulk defects in graphene nanoribbons

We study the interplay between the edge states and a single impurity in a zigzag graphene nanoribbon. We use tight-binding exact diagonalization techniques, as well as density functional theory calculations to obtain the eigenvalue spectrum, the eigenfunctions, as well as the dependence of the local density of states (LDOS) on energy and position. We study the strictly zero-energy eigenfunctions using symmetry considerations, as well as tight-binding techniques. Moreover, we note that roughly half of the unperturbed eigenstates in the spectrum of the finite-size ribbon hybridize with the impurity state, and the corresponding eigenvalues are shifted with respect to their unperturbed values. The maximum shift and hybridization occur for a state whose energy is inverse proportional to the impurity potential, and give rise to an impurity peak in the DOS spectrum. We find that the interference between the impurity and the edge gives rise to peculiar modifications of the LDOS of the nanoribbon, in particular to oscillations of the edge LDOS. These effects depend on the size of the system, and decay with the distance between the edge and the impurity.     

Quasiparticle interference around a magnetic impurity on a surface with strong spin-orbit coupling

On surfaces with strong spin-orbit coupling, backscattering is forbidden since it requires flipping of the spin of the electron. It has been proposed that the forbidden scattering channels in such systems can be activated if time reversal symmetry is locally broken, for example, by a magnetic scattering center. Scanning tunneling spectroscopic maps of quasiparticle interference patterns around a single magnetic MnPc molecule on a Bi(110) surface reveal only spin-conserving scattering events. Simulations based on the Green's functions approach confirm that the charge-density interference patterns are unaffected by the magnetic state of the impurity. A fingerprint of backscattering processes appears, however, in the magnetization patterns, suggesting that only spin-polarized measurements can access this information.     

Charge susceptibilities of armchair graphene nanoribbon in the presence of magnetic field

We present the behaviors of both dynamical and static charge susceptibilities of undoped armchair graphene nanoribbon using the Green's function approach in the context of tight binding model Hamiltonian.Specifically,the effects of magnetic field on the the plasmon modes of armchair graphene nanoribbon are investigated via calculating the correlation function of charge density operators.Our results show that the increase of magnetic field makes the high-frequency plasmon mode for both metallic and insulating cases disappear.We also show that low-frequency plasmon mode for metallic nanoribbon appears due to increase of magnetic field.Furthermore,the number of collective excitation modes increases with ribbon width at zero magnetic field.Finally,the temperature dependence of the static charge structure factor of armchair graphene nanoribbon is studied.The effects of both magnetic field and ribbon width on the static charge structure factor are discussed in detail.     

非均匀磁场和杂质磁场对自旋1系统量子关联的影响

通过负值度和测量诱导的扰动, 研究了非均匀磁场和杂质磁场对自旋为1的Heisenberg系统量子关联的影响. 研究发现非均匀磁场的增加会降低纠缠, 但也可用来产生纠缠, 并且会提高临界非线性作用K_c的值, 测量诱导的扰动的临界磁场要高于负值度的临界磁场, 而且测量诱导的扰动不会随着非线性作用|K| 的减小而消失, 它能全面反映量子关联的存在. 研究还发现, 不同杂质磁场对测量诱导的扰动的影响彼此间无交叉. 杂质磁场下, 相互作用|J| 必须小于非线性作用|K| 才会有纠缠存在, 但是测量诱导的扰动却可以在相互作用|J| 大于非线性作用|K| 时依然存在, |J| 与|K| 相同时只是测量诱导的扰动的最小取值点. 此外, 系统粒子数目对量子关联也具有重要影响.     

T型量子点结构中的自旋极化输运过程

我们利用单杂质Anderson模型及运动方程等理论,通过求解格林函数的方法研究了通过T型量子点结构(耦合于铁磁电极和介观环量子点结构)的自旋极化输运过程.研究结果表明,与量子点相耦合的铁磁电极中的极化强度是控制量子点电子输运的重要参数,由此可以达到自旋阀效应.另外我们还发现与量子点相耦合的介观环中的磁通会影响电子自旋向上和自旋向下近藤共振峰的分裂程度,但若加入适当的外磁场,那么这样的分裂将被抵消。     

Mode locking of spin waves excited by direct currents in microwave nano-oscillators

A spin-wave theory is presented which explains the frequency pulling and mode locking observed when two closely spaced spin-transfer nanometer-scale oscillators with slightly different frequencies are separately driven in the same magnetic thin film by spin-polarized carriers at high direct-current densities. The theory confirms recent experimental evidence that the origin of the phenomena lies in the nonlinear interaction between two overlapping spin waves excited in the magnetic nanostructure.