2007
DOI: 10.1002/pssb.200743047
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Electronic structure of the Ge(111)‐5 × 5 wetting layer on Si(111)‐7 × 7

Abstract: This work reports an ab initio study of the Ge(111)-5 × 5 reconstruction, which forms on top of a Si(111)-7 × 7 substrate. Detailed descriptions of the structural and electronic properties of this surface, obtained from density-functional calculations, are presented and analyzed. Many similarities with the structural and electronic -electronic properties of related structures such as Si(111)-7 × 7 and Si(111)-5 × 5 were found, in particular the similar localisation properties of the eigenstates around the ferm… Show more

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Cited by 4 publications
(4 citation statements)
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“…The structural analogy with the Si(111)-(7 × 7) surface discussed above thus translates into an analogy of the electronic properties. Both experimental studies 23,34,35 and recent ab initio calculations 36 indicate that the (5 × 5) surface is metallic, which offers the opportunity to probe the electron-phonon interaction.…”
Section: Methodsmentioning
confidence: 99%
“…The structural analogy with the Si(111)-(7 × 7) surface discussed above thus translates into an analogy of the electronic properties. Both experimental studies 23,34,35 and recent ab initio calculations 36 indicate that the (5 × 5) surface is metallic, which offers the opportunity to probe the electron-phonon interaction.…”
Section: Methodsmentioning
confidence: 99%
“…Earlier work [31] found only small variations in these quantities among different surface atoms of the clean Ge(5 × 5) system, even though there were definite qualitative trends consistent with other forms of analysis, and large effects were not found for the In on Ge(5 × 5) system. The gross charges were all found to be less than the free-atom value of 3.0 indicating electron transfer from the In towards the Ge surface atom(s), in accordance with the electronegativity difference [37,38].…”
Section: Bondingmentioning
confidence: 42%
“…More details about the setup of the structure, including the relaxed structure of the clean surface are given elsewhere [31].…”
Section: Computational Detailsmentioning
confidence: 99%
“…Spectrum 1, which was obtained near the top, showed a band gap, indicative of semiconducting characteristics, 8) while the STS spectrum obtained on the top surface around its center (not shown) exhibited a finite DOS near the Fermi energy, indicative of metallic characteristics. 17) The DOS at approximately 0.7 and 1.5 eV in spectrum 1 are likely to stem from surface and bulk states, respectively. As the measurement point goes down, the DOS of the surface and bulk states shifted to the lower and higher energy sides, respectively.…”
mentioning
confidence: 99%