2019
DOI: 10.1016/j.susc.2019.01.004
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Effects of surface structure and halogen substitution on electronic charge transfer in adlayers of (BETS)2-GaCl4 on silver surfaces

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Cited by 3 publications
(2 citation statements)
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“…For example, by using DFT calculations, Ananthaneni et al. [ 31 ] have shown that a charge transfer of 0.5 e is transferred from Ag(111) to GaCl 4 in a single layer of (BETS) 2 GaCl 4 . This partial charge transfer process can lead to a weak antiferromagnetic ordering in the GaCl 4 molecular chains via super‐exchange interactions.…”
Section: Resultsmentioning
confidence: 99%
“…For example, by using DFT calculations, Ananthaneni et al. [ 31 ] have shown that a charge transfer of 0.5 e is transferred from Ag(111) to GaCl 4 in a single layer of (BETS) 2 GaCl 4 . This partial charge transfer process can lead to a weak antiferromagnetic ordering in the GaCl 4 molecular chains via super‐exchange interactions.…”
Section: Resultsmentioning
confidence: 99%
“…[19] In case of adsorption on surfaces such as Ag(111), we have shown that these molecules form charge-transfer salt with similar motifs as the parent crystal. [20][21][22] Moreover, density functional theory calculations [23,24] have shown that the substrate also contributes to the charge-transfer process in the epitaxial layer by an average charge of about 0.4 electron; however, the total amount of charge transfer to GaCl 4 is still similar to the bulk crystal, i.e., %0.9 e. Accordingly, the dimers establish a delocalized electron state with an easy axis along the stacking direction. At a suitable substrate temperature, 125-230 K, molecules assemble into Kagome lattice as discussed in the following sections.…”
Section: Resultsmentioning
confidence: 99%