Inelastic electron tunneling spectroscopy of a single nuclear spin

Detection of a single nuclear spin constitutes an outstanding problem in different fields of physics such as quantum computing or magnetic imaging. Here we show that the energy levels of a single nuclear spin can be measured by means of inelastic electron tunneling spectroscopy (IETS). We consider two different systems, a magnetic adatom probed with scanning tunneling microscopy and a single Bi dopant in a silicon nanotransistor. We find that the hyperfine coupling opens new transport channels which can be resolved at experimentally accessible temperatures. Our simulations evince that IETS yields information about the occupations of the nuclear spin states, paving the way towards transport-detected single nuclear spin resonance.

Spin-filtered edge states in graphene

Spin–orbit coupling changes graphene, in principle, into a two-dimensional topological insulator, also known as quantum spin Hall insulator. One of the expected consequences is the existence of spin-filtered edge states that carry dissipationless spin currents and undergo no backscattering in the presence of non-magnetic disorder, leading to quantization of conductance. Whereas, due to the small size of spin–orbit coupling in graphene, the experimental observation of these remarkable predictions is unlikely, the theoretical understanding of these spin-filtered states is shedding light on the electronic properties of edge states in other two-dimensional quantum spin Hall insulators. Here we review the effect of a variety of perturbations, like curvature, disorder, edge reconstruction, edge crystallographic orientation, and Coulomb interactions on the electronic properties of these spin filtered states.

Optical spin transfer in ferromagnetic semiconductors

Circularly polarized laser pulses that excite electron-hole pairs across the band gap of (III,Mn)V ferromagnetic semiconductors can be used to manipulate and to study collective magnetization dynamics. The initial spin orientation of a photocarrier in a (III,V) semiconductors is determined by the polarization state of the laser. We show that the photocarrier spin can be irreversibly transferred to the collective magnetization, whose dynamics can consequently be flexibly controlled by suitably chosen laser pulses. As illustrations we demonstrate the feasibility of all optical ferromagnetic resonance and optical magnetization reorientation.

Optical spin transfer in ferromagnetic semiconductors [poster]

Poster presented in the International Conference of Magnetism, Rome, July 2003.

Probing a single nuclear spin in a silicon single electron transistor

We study single electron transport across a single Bi dopant in a silicon nanotransistor to assess how the strong hyperfine coupling with the Bi nuclear spin I = 9/2 affects the transport characteristics of the device. In the sequential tunneling regime we find that at, temperatures in the range of 100 mK, dI/dV curves reflect the zero field hyperfine splitting as well as its evolution under an applied magnetic field. Our non-equilibrium quantum simulations show that nuclear spins can be partially polarized parallel or antiparallel to the electronic spin just tuning the applied bias.

Efficient intrinsic spin relaxation in graphene due to flexural distortions

We propose an intrinsic spin scattering mechanism in graphene originated by the interplay of atomic spin-orbit interaction and the local curvature induced by flexural distortions of the atomic lattice. Starting from a multiorbital tight-binding Hamiltonian with spin-orbit coupling considered non-perturbatively, we derive an effective Hamiltonian for the spin scattering of the Dirac electrons due to flexural distortions. We compute the spin lifetime due to both flexural phonons and ripples and we find values in the 1-10 ns range at room temperature. The proposed mechanism dominates the spin relaxation in high mobility graphene samples and should also apply to other planar aromatic compounds.

Spin alignment of extra electrons in K-phenanthrene clusters taken from the crystalline tripotassium-intercalated phenanthrene structure

The appearance of ferromagnetic correlations among π electrons of phenanthrene (C14H10) molecules in the herringbone structure is proven for K doped clusters both by ab initio quantum-chemistry calculations and by the direct solution of the many-body Pariser-Parr-Pople Hamiltonian. Magnetic ground states are predicted for one or three additional electrons per phenanthrene molecule. These results are a consequence of the small overlap between the lowest unoccupied molecular orbitals (and lowest unoccupied molecular orbitals + 1) of neutral neighboring phenanthrene molecules, which makes the gain in energy by delocalization similar to the corresponding increase due to the Coulomb interaction.

Graphene single-electron transistor as a spin sensor for magnetic adsorbates

We study single-electron transport through a graphene quantum dot with magnetic adsorbates. We focus on the relation between the spin order of the adsorbates and the linear conductance of the device. The electronic structure of the graphene dot with magnetic adsorbates is modeled through numerical diagonalization of a tight-binding model with an exchange potential. We consider several mechanisms by which the adsorbate magnetic state can influence transport in a single-electron transistor: tuning the addition energy, changing the tunneling rate, and in the case of spin-polarized electrodes, through magnetoresistive effects. Whereas the first mechanism is always present, the others require that the electrode has to have either an energy- or spin-dependent density of states. We find that graphene dots are optimal systems to detect the spin state of a few magnetic centers.

Anisotropic intrinsic spin relaxation in graphene due to flexural distortions

We propose an intrinsic spin scattering mechanism in graphene originated by the interplay of atomic spin-orbit interaction and the local curvature induced by flexural distortions of the atomic lattice. Starting from a multiorbital tight-binding Hamiltonian with spin-orbit coupling considered nonperturbatively, we derive an effective Hamiltonian for the spin scattering of the Dirac electrons due to flexural distortions. We compute the spin lifetime due to both flexural phonons and ripples and we find values in the microsecond range at room temperature. Interestingly, this mechanism is anisotropic on two counts. First, the relaxation rate is different for off-plane and in-plane spin quantization axis. Second, the spin relaxation rate depends on the angle formed by the crystal momentum with the carbon-carbon bond. In addition, the spin lifetime is also valley dependent. The proposed mechanism sets an upper limit for spin lifetimes in graphene and will be relevant when samples of high quality can be fabricated free of extrinsic sources of spin relaxation.

Exponential decay of spin-spin correlation between distant defect states produced by contour hydrogenation of polycyclic aromatic hydrocarbon molecules

The first few low-lying spin states of alternant polycyclic aromatic hydrocarbon (PAH) molecules of several shapes showing defect states induced by contour hydrogenation have been studied both by ab initio methods and by a precise numerical solution of Pariser-Parr-Pople (PPP) interacting model. In accordance with Lieb's theorem, the ground state shows a spin multiplicity equal to one for balanced molecules, and it gets larger values for imbalanced molecules (that is, when the number of π electrons on both subsets is not equal). Furthermore, we find a systematic decrease of the singlet-triplet splitting as a function of the distance between defects, regardless of whether the ground state is singlet or triplet. For example, a splitting smaller than 0.001 eV is obtained for a medium size C46H28 PAH molecule (di-hydrogenated [11]phenacene) showing a singlet ground state. We conclude that π electrons unbound by lattice defects tend to remain localized and unpaired even when long-range Coulomb interaction is taken into account. Therefore they show a biradical character (polyradical character for more than two defects) and should be studied as two or more local doublets. The implications for electron transport are potentially important since these unpaired electrons can trap traveling electrons or simply flip their spin at a very small energy cost.

Intrinsic spin noise in MgO magnetic tunnel junctions

We consider two intrinsic sources of noise in ultra-sensitive magnetic field sensors based on MgO magnetic tunnel junctions, coming both from 25 Mg nuclear spins (I = 5/2, 10% natural abundance) and S = 1 Mg-vacancies. While nuclear spins induce noise peaked in the MHz frequency range, the vacancies noise peaks in the GHz range. We find that the nuclear noise in submicron devices has a similar magnitude than the 1/f noise, while the vacancy-induced noise dominates in the GHz range. Interestingly, the noise spectrum under a finite magnetic field gradient may provide spatial information about the spins in the MgO layer.

A highly resistive layer within the crust of X-ray pulsars limits their spin periods

The lack of isolated X-ray pulsars with spin periods longer than 12 s raises the question of where the population of evolved high-magnetic-field neutron stars has gone. Unlike canonical radiopulsars, X-ray pulsars are not subject to physical limits to the emission mechanism nor observational biases against the detection of sources with longer periods. Here we show that a highly resistive layer in the innermost part of the crust of neutron stars naturally limits the spin period to a maximum value of about 10–20 s. This highly resistive layer is expected if the inner crust is amorphous and heterogeneous in nuclear charge, possibly owing to the existence of a nuclear ‘pasta’ phase. Our findings suggest that the maximum period of isolated X-ray pulsars may be the first observational evidence for an amorphous inner crust, whose properties can be further constrained by future X-ray timing missions combined with more detailed models.

Local probe of fractional edge states of S=1 Heisenberg spin chains

Spin chains are among the simplest physical systems in which electron-electron interactions induce novel states of matter. Here we propose to combine atomic scale engineering and spectroscopic capabilities of state of the art scanning tunnel microscopy to probe the fractionalized edge states of individual atomic scale S=1 spin chains. These edge states arise from the topological order of the ground state in the Haldane phase. We also show that the Haldane gap and the spin-spin correlation length can be measured with the same technique.

Cyclobutadiene automerization and rotation of ethylene: Energetics of the barriers by using Spin-polarized wave functions

Spin-projected spin polarized Møller–Plesset and spin polarized coupled clusters calculations have been made to estimate the cyclobutadiene automerization, the ethylene torsion barriers in their ground state, and the gap between the singlet and triplet states of ethylene. The results have been obtained optimizing the geometries at MP4 and/or CCSD levels, by an extensive Gaussian basis set. A comparative analysis with more complex calculations, up to MP5 and CCSDTQP, together with others from the literature, have also been made, showing the efficacy of using spin-polarized wave functions as a reference wave function for Møller–Plesset and coupled clusters calculations, in such problems.

Quantum spin Hall phase in multilayer graphene

The so-called quantum spin Hall phase is a topologically nontrivial insulating phase that is predicted to appear in graphene and graphenelike systems. In this paper we address the question of whether this topological property persists in multilayered systems. We consider two situations: purely multilayer graphene and heterostructures where graphene is encapsulated by trivial insulators with a strong spin-orbit coupling. We use a four-orbital tight-binding model that includes full atomic spin-orbit coupling and we calculate the Z2 topological invariant of the bulk states as well as the edge states of semi-infinite crystals with armchair termination. For homogeneous multilayers we find that even when the spin-orbit interaction opens a gap for all possible stackings, only those with an odd number of layers host gapless edge states while those with an even number of layers are trivial insulators. For heterostructures where graphene is encapsulated by trivial insulators, it turns out that interlayer coupling is able to induce a topological gap whose size is controlled by the spin-orbit coupling of the encapsulating materials, indicating that the quantum spin Hall phase can be induced by proximity to trivial insulators.