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This article is cited in 2 scientific papers (total in 2 papers)
CONDENSED MATTER
Quantitative comparison of LDA + DMFT and ARPES spectral functions
I. A. Nekrasov, N. S. Pavlov Institute of Electrophysics, Ural Branch of the Russian Academy of Sciences, Yekaterinburg, 620016 Russia
Abstract:
The emergence of angle-resolved photoemission spectroscopy (ARPES) made it possible to observe electronic dispersion directly as a spectral function map. On the other hand, a spectral function map can be obtained theoretically, for example, in the LDA+DMFT method. The electronic band on such a map is characterized not only by its energy position at a given $k$ point, but also by its width and intensity. To illustrate a way of quantitative comparison of theoretical spectral functions and ARPES data, spectral functions obtained by the LDA+DMFT method are chosen. It is shown that the theoretical spectral functions should take into account a number of experimental features: the photoionization cross section, the experimental energy and angular resolution, as well as the effects of the lifetime of the photo-hole arising in the process of photoemission. In this article, we present a robust procedure for taking into account these experimental features by the example of iron-based high-temperature superconductors systems: NaFeAs and FeSe on a SrTiO$_3$ substrate.
Received: 30.11.2020 Revised: 07.12.2020 Accepted: 07.12.2020
Citation:
I. A. Nekrasov, N. S. Pavlov, “Quantitative comparison of LDA + DMFT and ARPES spectral functions”, Pis'ma v Zh. Èksper. Teoret. Fiz., 113:2 (2021), 126–130; JETP Letters, 113:2 (2021), 115–119
Linking options:
https://www.mathnet.ru/eng/jetpl6346 https://www.mathnet.ru/eng/jetpl/v113/i2/p126
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