2005
DOI: 10.1103/physrevb.72.085325
|View full text |Cite
|
Sign up to set email alerts
|

Energetic stability, equilibrium geometry, and the electronic properties ofCaSi(111)surfaces

Abstract: We have performed an ab initio theoretical investigation of the energetic stability, equilibrium atomic geometry, and scanning tunneling microscope ͑STM͒ images of the Ca/ Si͑111͒ surface. We have considered the ͑3 ϫ 1͒, ͑3 ϫ 2͒, and ͑2 ϫ 1͒ structural models for Ca coverage of 1 / 3 ML, 1 / 6 ML, and 1 / 2 ML, respectively. Our total energy results indicate that the ͑3 ϫ 1͒ phase is not expected to occur, even for Ca-rich conditions. In the ͑3 ϫ 2͒ phase the Ca adatoms lie on the T4 sites along the surface tr… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1

Citation Types

1
2
0

Year Published

2007
2007
2020
2020

Publication Types

Select...
8

Relationship

0
8

Authors

Journals

citations
Cited by 19 publications
(3 citation statements)
references
References 37 publications
1
2
0
Order By: Relevance
“…The building block of this structure ͑i.e., the dimerized feature͒ clearly resembles dimerlike entities caused by the Siv Si and Gev Ge double bonds of the HCC structure in calculated empty state STM images. 6,10,15,24,32 In the case of Ge, similar features were also reported in measured empty state images for the Li/ Ge͑111͒͑3 ϫ 1͒ ͑Refs. 19 and 20͒ and more recently the Eu/ Ge͑111͒͑3 ϫ 2͒ ͑Ref.…”
Section: Resultssupporting
confidence: 77%
“…The building block of this structure ͑i.e., the dimerized feature͒ clearly resembles dimerlike entities caused by the Siv Si and Gev Ge double bonds of the HCC structure in calculated empty state STM images. 6,10,15,24,32 In the case of Ge, similar features were also reported in measured empty state images for the Li/ Ge͑111͒͑3 ϫ 1͒ ͑Refs. 19 and 20͒ and more recently the Eu/ Ge͑111͒͑3 ϫ 2͒ ͑Ref.…”
Section: Resultssupporting
confidence: 77%
“…[1][2][3][4][5][6][7] In particular, adsorption of Mg atoms on silicon surfaces has attracted growing interest for the past few years because of the possible use of the growth of Mg 2 Si films on Si substrates, which is an important narrow band gap semiconductor with potential applications in optoelectronics. [1][2][3][4][5][6][7] In particular, adsorption of Mg atoms on silicon surfaces has attracted growing interest for the past few years because of the possible use of the growth of Mg 2 Si films on Si substrates, which is an important narrow band gap semiconductor with potential applications in optoelectronics.…”
Section: Introductionmentioning
confidence: 99%
“…Over the past decades, the adsorption of alkali and alkaline earth metals onto semiconductor surfaces has been intensively studied not only from a pure science perspective but also due to the many technological applications involving these adsorption processes [1][2][3][4][5][6][7]. Several studies have examined the formation of Mg silicide and Mg-induced superstructures on the Si(111)-7 × 7 surface using a range of experimental techniques, including low-energy electron diffraction (LEED), photoemission spectroscopy (PES), and scanning tunnelling microscopy (STM).…”
Section: Introductionmentioning
confidence: 99%