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- W4361001026 abstract "Poly(indenoindenes) are {pi}-conjugated ladder carbon polymers with alternating hexagons and pentagons hosting one unpaired electron for each five-membered ring in the open-shell limit. Here we study the main magnetic interactions that are present in finite oligo(indenoindenes) (OInIn), classifying the six possible isomers in two different classes of three isomers each. One class can be rationalized by frustrated S = 1/2 Heisenberg chains, with ferromagnetic interactions between neighbour sites and antiferromagnetic interactions between the next neighbours. The other class is characterized by the more trivial antiferromagnetic order. Employing several levels of theory we further show that the ground state of one of the isomers is a valence-bond solid (VBS) of ferromagnetic dimers (S = 1). This is topologically similar to that of the Affleck-Kennedy-Lieb-Tasaki (AKLT) model, which is known to show fractional S = 1/2 states at the edges." @default.
- W4361001026 created "2023-03-30" @default.
- W4361001026 creator A5024730967 @default.
- W4361001026 creator A5046238966 @default.
- W4361001026 creator A5065849993 @default.
- W4361001026 date "2023-03-27" @default.
- W4361001026 modified "2023-10-14" @default.
- W4361001026 title "Magnetic frustration and fractionalization in oligo(indenoindenes)" @default.
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- W4361001026 doi "https://doi.org/10.1103/physrevb.107.l100416" @default.
- W4361001026 hasPublicationYear "2023" @default.
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