2017
DOI: 10.1088/1367-2630/aa5b7a
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Adsorption and spin-related properties of multi-Co atoms assembled in the half unit cells of Si(111)-(7 × 7)

Abstract: Multiple Co atoms were assembled in the half unit cells (HUCs) of aSi(111)-(7 × 7) surface via vertical atom manipulation at room temperature. Combining scanning tunneling microscopy and firstprinciples calculations, we have determined the adsorption sites and spin-related properties of six Coatoms assembled in both faulted HUCs (FHUCs) and unfaulted HUCs (UHUCs). These multi-Coatoms do not form metal clusters, which usually have a definite adsorption configuration, because of the strong interaction between… Show more

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Cited by 3 publications
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“…A more accurate estimation of the silicon surface band gap has been previously studied via the use of the HSE hybrid functional. Using a set of ad hoc Hubbard parameters or a hybrid functional such as HSE is also possible to correct the silicon surface gap energy, but it will affect as well the resulting electronic properties of the Co adsorbate and in particular overestimate the spin magnetic moment . We have thus considered that these methods are not suitable for this study.…”
Section: Experimental and Theoretical Methodsmentioning
confidence: 99%
“…A more accurate estimation of the silicon surface band gap has been previously studied via the use of the HSE hybrid functional. Using a set of ad hoc Hubbard parameters or a hybrid functional such as HSE is also possible to correct the silicon surface gap energy, but it will affect as well the resulting electronic properties of the Co adsorbate and in particular overestimate the spin magnetic moment . We have thus considered that these methods are not suitable for this study.…”
Section: Experimental and Theoretical Methodsmentioning
confidence: 99%