How quantum selection rules influence the magneto-optical effects of driven, ultrafast magnetization dynamics

Fuente: arXiv
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Autori principali: Elhanoty, Mohamed F., Eriksson, Olle, Ong, Chin Shen, Grånäs, Oscar
Natura: Preprint
Pubblicazione: 2025
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author Elhanoty, Mohamed F.
Eriksson, Olle
Ong, Chin Shen
Grånäs, Oscar
author_facet Elhanoty, Mohamed F.
Eriksson, Olle
Ong, Chin Shen
Grånäs, Oscar
contents Ultrafast magnetization dynamics driven by ultrashort pump lasers is typically explained by changes in electronic populations and scattering pathways of excited conduction electrons. This conventional approach overlooks the fundamental role of quantum mechanical selection rules, governing transitions from core states to the conduction band, that forms the key method of the probing step in these experiments. By employing fully ab initio time-dependent density functional theory, we reveal that these selection rules profoundly influence the interpretation of ultrafast spin dynamics at specific probe energies. Our analysis for hcp Co and fcc Ni at the M edge demonstrates that the transient dynamics, as revealed in pump-probe experiments, arise from a complex interplay of optical excitations of the M shell. Taking into account the selection rules and conduction electron spin flips, this leads to highly energy-dependent dynamics. These findings address longstanding discrepancies in experimental TMOKE measurements and show that only through meticulous consideration of matrix elements at the probe stage, can one ensure that magnetization dynamics is revealed in its true nature, instead of being muddled by artifacts arising from the choice of probe energy.
format Preprint
id arxiv_https___arxiv_org_abs_2501_05433
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle How quantum selection rules influence the magneto-optical effects of driven, ultrafast magnetization dynamics
Elhanoty, Mohamed F.
Eriksson, Olle
Ong, Chin Shen
Grånäs, Oscar
Materials Science
Ultrafast magnetization dynamics driven by ultrashort pump lasers is typically explained by changes in electronic populations and scattering pathways of excited conduction electrons. This conventional approach overlooks the fundamental role of quantum mechanical selection rules, governing transitions from core states to the conduction band, that forms the key method of the probing step in these experiments. By employing fully ab initio time-dependent density functional theory, we reveal that these selection rules profoundly influence the interpretation of ultrafast spin dynamics at specific probe energies. Our analysis for hcp Co and fcc Ni at the M edge demonstrates that the transient dynamics, as revealed in pump-probe experiments, arise from a complex interplay of optical excitations of the M shell. Taking into account the selection rules and conduction electron spin flips, this leads to highly energy-dependent dynamics. These findings address longstanding discrepancies in experimental TMOKE measurements and show that only through meticulous consideration of matrix elements at the probe stage, can one ensure that magnetization dynamics is revealed in its true nature, instead of being muddled by artifacts arising from the choice of probe energy.
title How quantum selection rules influence the magneto-optical effects of driven, ultrafast magnetization dynamics
topic Materials Science
url https://arxiv.org/abs/2501.05433