Investigation of the geometric and electronic structures of ErSi (2− x) with the density functional theory and comparison with STM images
Study of ErSi (2− x) surfaces system is submitted at one controversy in reason of the STM images bias voltage dependence. In this article, we have investigated by means of calculations issued of the density functional theory (DFT), atomic surface density for 2D and 3D epitaxial erbium silicide on Si...
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| Published in | Surface science Vol. 595; no. 1; pp. 40 - 48 |
|---|---|
| Main Authors | , , , |
| Format | Journal Article |
| Language | English |
| Published |
Lausanne
Elsevier B.V
05.12.2005
Amsterdam Elsevier Science New York, NY Elsevier |
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| Abstract | Study of ErSi
(2−
x)
surfaces system is submitted at one controversy in reason of the STM images bias voltage dependence. In this article, we have investigated by means of calculations issued of the density functional theory (DFT), atomic surface density for 2D and 3D epitaxial erbium silicide on Si(1
1
1). DOS (density of state) in front of the surface, calculated with Wien2k, permits to simulate scanning tunneling microscopy (STM) images in function of the bias voltage and to discriminate the different surface arrangements. The calculations confirm the model of structure accepted and give some new elements in order to close the controversy on the question. |
|---|---|
| AbstractList | Study of ErSi
(2−
x)
surfaces system is submitted at one controversy in reason of the STM images bias voltage dependence. In this article, we have investigated by means of calculations issued of the density functional theory (DFT), atomic surface density for 2D and 3D epitaxial erbium silicide on Si(1
1
1). DOS (density of state) in front of the surface, calculated with Wien2k, permits to simulate scanning tunneling microscopy (STM) images in function of the bias voltage and to discriminate the different surface arrangements. The calculations confirm the model of structure accepted and give some new elements in order to close the controversy on the question. |
| Author | Ehret, E. Palmino, F. Labrune, J.-C. Duverger, E. |
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| Keywords | Wien2k simulation Density functional theory Silicon surface STM Erbium Interface Scanning tunneling microscopy Electronic structure Simulation Rare earths Density functional method Silicon |
| Language | English |
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| Snippet | Study of ErSi
(2−
x)
surfaces system is submitted at one controversy in reason of the STM images bias voltage dependence. In this article, we have investigated... |
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| SubjectTerms | Condensed Matter Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science; rheology Density functional theory Erbium Exact sciences and technology Interface Materials Science Physics Silicon surface STM Wien2k simulation |
| Title | Investigation of the geometric and electronic structures of ErSi (2− x) with the density functional theory and comparison with STM images |
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