2011
DOI: 10.1063/1.3549256
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The reaction of Si(001) with magnesium and calcium

Abstract: We use a novel three-layer model function to assess the effect of the electron donors Mg and Ca on the Si(001) surface. The model shows that the previously unassigned C and D contributions of the Si 2p spectrum are due to the third surface layer. The layer-wise response of the Si(001) surface to the deposition of Mg atoms shows that the essential character of the dimer reconstruction initially remains in place, but is modified in discernible ways by charge donated to the dimer atoms. At larger coverage a new, … Show more

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Cited by 15 publications
(8 citation statements)
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References 25 publications
(12 reference statements)
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“…[31][32][33] For example, when Mg and Ca are adsorbed on Si(001) to form MgSi 2 and CaSi 2 , the Si 2p core-level shifts observed as a function of Ca and Mg coverage indicate charge transfer from alkaline-earth metals to Si(001). 33 Using density functional theory (DFT), we recently proposed that at sub-monolayer coverage, Sr on Si (001) results in un-tilting of the dimers due to Zintl charge transfer from the electropositive metal to Si. 34 This structural change is an essential factor in creating the template for the subsequent SrTiO 3 growth.…”
mentioning
confidence: 98%
“…[31][32][33] For example, when Mg and Ca are adsorbed on Si(001) to form MgSi 2 and CaSi 2 , the Si 2p core-level shifts observed as a function of Ca and Mg coverage indicate charge transfer from alkaline-earth metals to Si(001). 33 Using density functional theory (DFT), we recently proposed that at sub-monolayer coverage, Sr on Si (001) results in un-tilting of the dimers due to Zintl charge transfer from the electropositive metal to Si. 34 This structural change is an essential factor in creating the template for the subsequent SrTiO 3 growth.…”
mentioning
confidence: 98%
“…19) Acid pre-treatments followed by annealing in an ultra-high vacuum (UHV) chamber are beneficial for establishing longrange 2 × 1 surface order on Si(001) without residual native oxides. 20,21) However, the acid processes affect Ge(001) and (In)GaAs because the intrinsic surface morphologies are lost. The former has single Ge atoms that linger on the surface, 22) whereas the latter shows no clear long-range surface ordering.…”
mentioning
confidence: 99%
“…The S2 component arises from the second surface layer. 10,22) The small SCLS value suggests that the Ge atoms in the S2 layer behave similarly to those in the bulk.…”
mentioning
confidence: 99%