Calculation of photoemission spectra for surfaces of solids

Hopkinson, J. F. L.; Pendry, J. B.; Titterington, D.

doi:10.1016/0010-4655(80)90068-5

Cited by 269 publications

(68 citation statements)

References 1 publication

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“…During deposition, the substrate temperature is kept at 360°C, under which the condition of twodimensional growth is observed by in situ reflection highenergy electron diffraction. Calculations of the SR-ARPES intensity are based on multiple scattering theory within the one-step model of photoemission, including wave-vector, spin-dependent, and energy-dependent transition-matrix elements [30,31]. Initial and final states are obtained for a semiinfinite half-space using the low-energy electron-diffraction method [32].…”

Section: Methodsmentioning

confidence: 99%

Photoemission ofBi2Se3with Circularly Polarized Light: Probe of Spin Polarization or Means for Spin Manipulation?

et al. 2014

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Topological insulators are characterized by Dirac-cone surface states with electron spins locked perpendicular to their linear momenta. Recent theoretical and experimental work implied that this specific spin texture should enable control of photoelectron spins by circularly polarized light. However, these reports questioned the so far accepted interpretation of spin-resolved photoelectron spectroscopy. We solve this puzzle and show that vacuum ultraviolet photons (50-70 eV) with linear or circular polarization indeed probe the initial-state spin texture of Bi 2 Se 3 while circularly polarized 6-eV low-energy photons flip the electron spins out of plane and reverse their spin polarization, with its sign determined by the light helicity. Our photoemission calculations, taking into account the interplay between the varying probing depth, dipole-selection rules, and spin-dependent scattering effects involving initial and final states, explain these findings and reveal proper conditions for light-induced spin manipulation. Our results pave the way for future applications of topological insulators in optospintronic devices.

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Section: Methodsmentioning

confidence: 99%

Photoemission ofBi2Se3with Circularly Polarized Light: Probe of Spin Polarization or Means for Spin Manipulation?

et al. 2014

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“…The most successful theoretical approach to PES/IPE is the so-called one-step model of photoemission as origi nally proposed by Pendry and co-workers [9,12,13]. A review on the recent developments and refinements [14] of the approach can be found in [15,16].…”

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confidence: 99%

Spectral Function of Ferromagnetic3dMetals: A Self-ConsistentLSDA+DMFTApproach Combined with the One-Step Model of Photoemission

et al. 2006

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The electronic structure of ferromagnetic 3d-transition metals in the vicinity of the Fermi level is dominated by the spin-polarized d bands. Experimentally, this energy region can be probed in detail by means of angle-resolved ultraviolet photoemission and inverse photoemission. In several earlier studies the measured spectra were described either within a single-particle approach based on the local spindensity approximation including matrix-element effects within the so-called one-step model or by sophisticated many-body approaches neglecting these effects. In our analysis we combine for the first time correlation with matrix-element effects to achieve an improved interpretation of photoemission data from ferromagnetic nickel.

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“…This approach includes more or less all relevant spectroscopy issues, like multiple-scattering events, matrix element, final state effects and surface effects. The approach goes back to the developments worked out by Pendry and coworkers [77][78][79]. For calculation of the matrix elements that define the transition probability of the photoelectron, one has to consider the initial-and final-state wave functions.…”

Section: Photoemission Spectroscopymentioning

confidence: 99%

A self-consistent, relativistic implementation of the LSDA+DMFT method

Minář

Ebert²,

Chioncel

2017

Eur. Phys. J. Spec. Top.

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Abstract. In this review we report on developments and various applications of the combined Density Functional and Dynamical Mean-Field Theory, the so-called LSDA + DMFT method, as implemented within the fully relativistic KKR (Korringa-Kohn-Rostoker) band structure method. The KKR uses a description of the electronic structure in terms of the single-particle Green function, which allows to study correlation effects in ordered and disordered systems independently of its dimensionality (bulk, surfaces and nano-structures). We present self-consistent LSDA+DMFT results for the ground state and spectroscopic properties of transition metal elements and their compounds. In particular we discuss the spin-orbit induced orbital magnetic moments for Fe xNi1−x disordered alloys, the magnetic Compton profiles of fcc Ni and the angle-resolved photoemission spectroscopy (ARPES) spectra for gallium manganese arsenide dilute magnetic semiconductors. For the (GaMn)As system a direct comparison with the experimental ARPES spectra demonstrates the importance of matrix element effects, the presence of the semi-infinite surface and the inclusion of layer-dependent self-energies.

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Calculation of photoemission spectra for surfaces of solids

Cited by 269 publications

References 1 publication

Photoemission ofBi2Se3with Circularly Polarized Light: Probe of Spin Polarization or Means for Spin Manipulation?

Photoemission ofBi2Se3with Circularly Polarized Light: Probe of Spin Polarization or Means for Spin Manipulation?

Spectral Function of Ferromagnetic3dMetals: A Self-ConsistentLSDA+DMFTApproach Combined with the One-Step Model of Photoemission

A self-consistent, relativistic implementation of the LSDA+DMFT method

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