One-step model of photoemission at finite temperatures: Spin fluctuations of Fe(001)

Various technical developments have extended the potential of angle-resolved photoemission spectroscopy (ARPES) tremendously over the last 20 years. In particular improved momentum, energy, and spin resolution as well as the use of photon energies from a few eV up to several keV make ARPES a rather...

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Bibliographic Details
Published in:Physical review. B 2020-07, Vol.102 (3), p.1, Article 035107
Main Authors: Minár, Ján, Mankovsky, Sergey, Braun, Jürgen, Ebert, Hubert
Format: Article
Language:English
Subjects:
Approximation
Coherent potential approximation
Lattice vibration
Numerical analysis
Photoelectric emission
Temperature dependence
Temperature effects
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Summary:Various technical developments have extended the potential of angle-resolved photoemission spectroscopy (ARPES) tremendously over the last 20 years. In particular improved momentum, energy, and spin resolution as well as the use of photon energies from a few eV up to several keV make ARPES a rather unique tool to investigate the electronic properties of solids and surfaces. With our work we present a generalization of the state-of-the-art description of the photoemission process, the so-called one-step model that describes excitation, transport to the surface, and escape into the vacuum in a coherent way. In particular, we present a theoretical description of temperature-dependent ARPES with a special emphasis on spin fluctuations. Finite-temperature effects are included within the so-called alloy analogy model which is based on the coherent potential approximation, and this method allows us to describe uncorrelated lattice vibrations in combination with spin fluctuations quantitatively on the same level of accuracy. To demonstrate the applicability of our approach a corresponding numerical analysis has been applied to spin- and angle-resolved photoemission of Fe(100) at finite temperatures.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.102.035107