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Published in 2019 at "RSC Advances"
DOI: 10.1039/c9ra08541f
Abstract: The magnetic states of one single atomic layer of iron epitaxially grown on 4d and 5d nonmagnetic metals are studied under strain systematically using first principle calculations.
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Keywords:
monolayer nonmagnetic;
ground states;
states iron;
magnetic ground ... See more keywords
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Published in 2021 at "AIP Advances"
DOI: 10.1063/5.0052065
Abstract: Geometries and energy separations of various low-lying electronic states of an iron trimer (Fe3) are investigated by coupled-cluster singles and doubles (CCSD) and coupled-cluster singles and doubles plus perturbative triples [CCSD(T)] calculations. The ground state…
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Keywords:
iron trimer;
ccsd;
low lying;
states iron ... See more keywords