Abstract
Noble and alkali metal adsorption on the Si surface is investigated by means of self-consistent local density molecular cluster calculations using the DMOL method and clusters which range up to 98 atoms. Results are reported for (i) Cu and Ag on the Si(111) surface; (ii) alkali metal adsorption on the (2 × 1) Si(100) reconstructed surface and (iii) co-adsorption of oxygen and potassium on the (2×1) Si(100) surface.
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References
Barone, V.; Del Re, G.; Le Lay, G.; Kern, R.; 1980, Surf. Sci. 99:223.
Batra, I.P.; 1990, private communication.
Bechstedt, F.; Reichardt, D.; 1988, Surf. Sci. 202:83.
Chadi, D.J.; 1979, Phys. Rev. Lett. 43:43.
Chambers, S.A.; Anderson, S.B.; Weaver, J.H.; 1985, Phys. Rev. B 32:581.
Chou, S.-H.; Freeman, A.J.; Grigoras, S.; Gentle, T.M.; Delley, B.; Wimmer, E.; 1987, J. Am. Chem. Soc. 109:1880.
Chou, S.-H.; Freeman, A.J.; Grigoras, S.; Gentle, T.M.; Delley, B.; Wimmer, E.; 1989, J. Chem. Phys. 89:5177.
Delley, B.; 1986, Chem. Phys. 110:329.
Delley, B.; 1990, J. Chem. Phys. 92:508.
Delley B.; to be published.
Delley, B.; Ellis, D.E.; Freeman, A.J.; 1983a, Phys. Rev. Lett. 50:488.
Delley, B.; Ellis, D.E.; Freeman, A.J.; Baerends, E.J.; Post, D.; 1983b, Phys. Rev. B 27:2132.
Franciosi, A.; Soukiassian, P.; Philip, P.; Chang, S.; Wall, A.; Raisanen, A.; Troullier, N.; 1987, Phys. Rev. B35:910.
Gentle, T.M.; Owen, M.J.; unpublished results.
Haneman, D.; 1987, Rep. Prog. Phys. 50:1045.
Holland, B.W.; Duke, C.B.; Paton, A.; 1984, Surf. Sci. 140:L269.
Julg, A.; Allouche, A.; 1982, Intern. J. Quantum Chem. 22:739.
Kendelewicz, T.; Soukiassian, P.; List, R.S.; Woicik, J.C.; Pianetta, P.; Lindau, I.; Spicer, W.E.; 1988, Phys. Rev. B 37:7115.
Kim, S.T.; Kapoor, S.; Hurych, Z.; Barbier, L.; Soukiassian, P.; to be published. Landolt-Bornstein, New Series II/7., 1976, Structure Data of Free Polyatomic Molecules, p. 179, Springer-Verlag, New York.
Le Lay, G.; 1983a, J. Vac. Sci. Technol. B 1:354.
Le Lay, G.; 1983b, Surf. Sci. 132:169.
Le Lay, G.; Manneville, M.; Kern, R.; 1978, Surf. Sci. 72:405.
Levine, J.D.; 1973, Surf. Sci. 34:90.
Lewis, K.M.; McLeod, D.; Kanner, B.; 1988, in: Catalysis 1987, (Ed. J.W. Ward), p. 415, Elsevier Science Publishers B.V., Amsterdam.
Ramirez, R.; 1989, Phys. Rev. B 40:3962.
Redondo, A.; Goddard III, W.A.; McGill, T.C.; 1982, J. Vac. Sci. Technol. 21:649.
Ringersen, F.; Derrien, J.; Dangy, E.; Layet, J.M.; Mathiez, P.; Salram, F.; 1983, J. Vac. Sci. Technol. B 1:546.
Soukiassian, P.; Bakshi, M.H.; Starnberg, H.I.; Bommannavar, A.S.; Hurych, Z.; 1988, Phys. Rev. B 37:6496 and references therein.
Stöhr, J.; Jaeger, R.; 1982, J. Vac. Sci. Technol. 21:619.
Stöhr, J.; Jaeger, R.; Rossi, G.; Kendelewicz, T.; Lindau, I.; 1983, Surf. Sci. 134:813.
Tang, S.P.; Freeman, A.J.; Delley, B.; to be published.
van der Veen, J.F.; 1985, Surf. Sci. Rep. 5:199.
von Barth, U.; Hedin, L.; 1972, J. Phya. C 5:1629.
Wei, C.M.; Huang, H.; Tong, S.Y.; Glander, G.S.; Webb, M.B.; to be published.
Ye, L.; Freeman, A.J.; Delley, B.; 1989, Phys. Rev. B 39:10144.
Ye, L.; Freeman, A.J.; Delley, B.; Surface Science to appear.
Yin, M.T.; Cohen, M.L.; 1981, Phys. Rev. B 24:2303.
Yokotuka, T.; Kono, S.; Susuki, S.; Sagawa, T.; 1983, Surf. Sci. 127:35.
Zheng, Qingqi; Zeng, Zhi; Han, Rushan; 1988, Surf. Sci. 195:L173.
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Freeman, A.J., Tang, S., Chou, S.H., Ling, Y., Delley, B. (1991). Local Density DMOL Studies of Noble and Alkali Metal Adsorption on the Silicon Surface. In: Labanowski, J.K., Andzelm, J.W. (eds) Density Functional Methods in Chemistry. Springer, New York, NY. https://doi.org/10.1007/978-1-4612-3136-3_5
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DOI: https://doi.org/10.1007/978-1-4612-3136-3_5
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