Buckled reconstruction of the alkali-metal (Na, K)-adsorbed Si(111)-(3×1) surfaces
Open Access
- 15 September 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 54 (11) , 8196-8201
- https://doi.org/10.1103/physrevb.54.8196
Abstract
The atomic and electronic structures of the alkali-metal (Na, K)-adsorbed Si(111)-(3×1) surface are studied by the pseudopotential density-functional total-energy scheme for the structural models proposed to date: the missing-top-layer (MTL), π-bonded chain, and overlayer models including their variations. From the extensive investigation of them, we propose the MTL model as the ground-state structure of this system based both on the energetics and on the comparison of the calculated electronic structures with recent angle-resolved ultraviolet photoemission data. © 1996 The American Physical Society.Keywords
This publication has 32 references indexed in Scilit:
- Thermal desorption of Na from
Na Si (111)3 × 1Surface Science, 1995 - Surface and bulk core level shifts of the Si(111) 3 × 1-Na and Si(111) δ7 × 7-Na surfacesSurface Science, 1994
- Photoemission study of the Si(111)3×1-K surfacePhysical Review B, 1994
- Scanning tunneling microscopy of alkali metal-induced structures on the Si(111) surfaceJournal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, 1994
- The Absolute Coverage of K on the Si(111)-3×1-K SurfaceJapanese Journal of Applied Physics, 1993
- Na adsorption on Si(111)-(7×7) studied by scanning tunneling microscopy and photoemissionJournal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, 1993
- Structural and electronic properties of ordered single and multiple layers of Na on the Si(111) surfacePhysical Review Letters, 1992
- Na-induced (7×7)-to-(3×1) structural transformation on a Si(111)7×7 surface and the resulting passivation of the surface towards interaction with oxygenPhysical Review B, 1991
- Metal-adsorbate-induced Si(111)-(1×3) reconstructionPhysical Review B, 1990
- Study of the Si(111) 7 × 7 surface structure by alkali- metal adsorptionSurface Science, 1985