Metallic Phases on a Pristine Si(111) Surface
العنوان: | Metallic Phases on a Pristine Si(111) Surface |
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المؤلفون: | Kangmo Yeo, Sukmin Jeong |
المصدر: | Journal of the Korean Physical Society. 76:710-714 |
بيانات النشر: | Korean Physical Society, 2020. |
سنة النشر: | 2020 |
مصطلحات موضوعية: | 010302 applied physics, Surface (mathematics), Materials science, Quadrilateral, Silicon, Condensed matter physics, Hexagonal crystal system, Dangling bond, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Metal, chemistry, visual_art, Topological insulator, 0103 physical sciences, visual_art.visual_art_medium, Surface layer, 0210 nano-technology |
الوصف: | We present the surface structures of pristine silicon with novel structural and electronic properties based on first-principles calculations. The surfaces are composed of connected armchair ribbons, resulting in quadrilateral, hexagonal, and elongated octagonal structures, in which the constituent Si atoms are threefold (dangling bonds) or fourfold coordinated. Some of the subsurface Si atoms below the surface layer are fivefold-coordinated (floating bonds). Despite having higher formation energies than the conventional Si(111) surfaces (e.g., 0.5 eV/(1 × 1) higher than the Pandey chain model), the structures have unique structural and electronic properties. One of the interesting structural properties is that the surface is nearly flat (average height difference of ∼0.02 A) unlike the typical Si surfaces with large atomic bucklings. The calculated electronic structures show that the surfaces are metallic, as in topological insulators, in which the insulating bulk is surrounded by metallic surfaces. |
تدمد: | 1976-8524 0374-4884 |
URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::4e2fa624ce73d5db87d0b17162a66357 https://doi.org/10.3938/jkps.76.710 |
حقوق: | CLOSED |
رقم الأكسشن: | edsair.doi...........4e2fa624ce73d5db87d0b17162a66357 |
قاعدة البيانات: | OpenAIRE |
تدمد: | 19768524 03744884 |
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