Theory of spin excitations in Fe(110) monolayers

Costa, A. T.; Muniz, R. B.; Mills, D. L.

doi:10.1103/physrevb.66.174417

Cited by 69 publications

(103 citation statements)

References 38 publications

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“…These authors studied the spin-wave dispersion of 3d ferromagnets and obtained reasonable agreement with experiments; in particular, the optical branch in the spin-wave dispersion of fcc Ni was correctly described. 25 Using a similar approach, Mills and co-workers [27][28][29][30] carried out extensive calculations to explore the spin dynamics in ultrathin ferromagnetic ͑FM͒ films on nonmagnetic ͑NM͒ substrates. Recently more realistic treatments of the spin-wave spectra in 3d ferromagnets were reported by Savrasov 31 and Buczek et al 32 within time-dependent DFT ͑TDDFT͒ and by Karlsson and Aryasetiawan 33 within MBPT.…”

Section: Introductionmentioning

confidence: 99%

Wannier-function approach to spin excitations in solids

et al. 2010

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We present a computational scheme to study spin excitations in magnetic materials from first principles. The central quantity is the transverse spin susceptibility, from which the complete excitation spectrum, including single-particle spin-flip Stoner excitations and collective spin-wave modes, can be obtained. The susceptibility is derived from many-body perturbation theory and includes dynamic correlation through a summation over ladder diagrams that describe the coupling of electrons and holes with opposite spins. In contrast to earlier studies, we do not use a model potential with adjustable parameters for the electron-hole interaction but employ the random-phase approximation. To reduce the numerical cost for the calculation of the four-point scattering matrix we perform a projection onto maximally localized Wannier functions, which allows us to truncate the matrix efficiently by exploiting the short spatial range of electronic correlation in the partially filled d or f orbitals. Our implementation is based on the full-potential linearized augmented-plane-wave method. Starting from a ground-state calculation within the local-spin-density approximation ͑LSDA͒, we first analyze the matrix elements of the screened Coulomb potential in the Wannier basis for the 3d transition-metal series. In particular, we discuss the differences between a constrained nonmagnetic and a proper spin-polarized treatment for the ferromagnets Fe, Co, and Ni. The spectrum of single-particle and collective spin excitations in fcc Ni is then studied in detail. The calculated spin-wave dispersion is in good overall agreement with experimental data and contains both an acoustic and an optical branch for intermediate wave vectors along the ͓1 0 0͔ direction. In addition, we find evidence for a similar double-peak structure in the spectral function along the ͓1 1 1͔ direction. To investigate the influence of static correlation we finally consider LSDA+ U as an alternative starting point and show that, together with an improved description of the Fermi surface, it yields a more accurate quantitative value for the spin-wave stiffness constant, which is overestimated in the LSDA.

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Section: Introductionmentioning

confidence: 99%

Wannier-function approach to spin excitations in solids

et al. 2010

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“…In fact, by plugging the linear behavior of χ 0 into Eq. 1 and evaluating the imaginary part of χ we obtain an equation similar to what is given in [1,26]:…”

Section: Adatoms On Ag(111) Surfacementioning

confidence: 99%

“…The same procedure is repeated for the magnetic response function χ(ω) and the kernel U by transforming Eq. 1 in the same way, so that we obtain a form that resembles the approach of Lowde and Windsor [33], which is very often used in the tight-binding simulations of magnetic excitations [26]:…”

Section: Scheme For the Calculation Of χmentioning

confidence: 99%

“…Since these types of calculations for magnetic materials are computationally expensive, very few DFT-based calculations, even for bulk systems, were performed [19,20], and it is only recently that a few groups have undertaken the task of calculating dynamical transverse magnetic response functions for bulk materials [21][22][23], thin films [24] and adatoms or nanostructures on surfaces [28,29]. Several studies based on empirical tight binding (ETB) theory and MBPT were published [25][26][27] which, although relying on the accuracy of fitting parameters, have advanced the understanding of many effects accompanying spin-excitations. Our first-principles scheme uses TD-DFT (see Refs.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical probing of inelastic spin-excitations in adatoms on surfaces

Lounis¹,

Schweflinghaus²,

Dias³

et al. 2014

Surface Science

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“…It is possible, however, to extend some those integrals to the complex plane and avoid a great deal of numerical difficulties by rewriting Eq. 13 as a sum of three terms (χ 0 = I 1 + I 2 + I 3 ) which are given at zero temperature by 24 :…”

Section: Generalized Transverse Spin Susceptibilitymentioning

confidence: 99%

Spin currents in metallic nanostructures: Explicit calculations

et al. 2011

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In ultrathin ferromagnets deposited on metallic substrates, excitation of precessional motion of the spins produces a spin current in the substrate that transports angular momentum out of the film. This phenomenon is referred to as spin pumping, and is a source of damping of the spin motion. Spin pumping enters importantly in the description of spin dynamics in other nanoscale and subnanoscale systems as well. In this paper, we present an approach based on the Kubo formalism that allows the explicit calculation of this spin current and its spatial variation. We use the formalism to explore features of the spin current generated by spin motions in a simple model system.

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Theory of spin excitations in Fe(110) monolayers

Cited by 69 publications

References 38 publications

Wannier-function approach to spin excitations in solids

Wannier-function approach to spin excitations in solids

Theoretical probing of inelastic spin-excitations in adatoms on surfaces

Spin currents in metallic nanostructures: Explicit calculations

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