Abstract
It is shown that the embedding of covalent clusters with the help of pseudo atoms and thefullerene π electronic structure of amorphous carbon can be studied by the same formalism. Tight-binding model calculations were done for silicon clusters. It was found that the covalent clusters often have topologically determined energy levels that are cleared out from the spectrum in the presence of embedding.
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References
R.P. Mesmer and G.D. Watkins, Phys. Rev. Lett. 25 (1970)656–659.
F.P. Larkins, J. Phys. C4 (1971)3065–3076.
I. László, Int. I Quant. Chem. Suppl. 2, 12 (1977)105–114.
I. László, Int. I Quant. Chem. 21 (1982)813–822.
A. Julg, F. Marinelli and A. Pellégatti, Int. J. Quant. Chem. 14 (1978)181–190.
C. Pisani and F. Ricca, Surface Sci. 92 (1980)481–488.
E. Gaigher and W.S. Verwoerd, Surface Sci. 103 (1981)338–352.
V. Barone and G. Del Re, J. Mol. Strum (THEOCHEM) 94 (1983)173–185.
V. Barone, F. Lelj, N. Russo and G. Abbate, Sol. Stat. Commun. 49 (1984)925–928.
V. Barone, F. Leij, N. Russo, M. Toscano, F. Inas and J. Rubin, Surface Sci. 162 (1985)169–174.
J. Robertson and E.P. O'Reilly, Phys. Rev. B35 (1987)2946–2957.
S. Kugler and I. László, Phys. Rev. B39 (1989)3882–3884.
H.W. Kyoto, J.T. Heath, S.C. O'Brien, R.F. Curl and R.E. Smalley, Nature 318 (1985)162–163.
H.W. Kyoto, Nature 329 (1987)529–531.
I. László and L. Udvardi, Chem. Phys. Lett. 136 (1987)418–422.
I. László and L. Udvardi, J. Mol. Struct. (THEOCHEM) 183 (1989)271–278.
A.H. Harker and F.P. Larkins, J. Phys. Cl2 (1979)2487–2495.
A.H. Harker and F.P. Larkins, J. Phys. C12 (1979)2497–2508.
A.H. Harker and F.P. Larkins, J. Phys. Cl2 (1979)2509–2517.
P. Deák, Acta Phys. Hung. 50 (1981)247–262.
R.A. Evarestov,Kvardovohimicseszkije methodi v teorii tverdogo tele (Leningrad University Press, Leningrad, 1982), pp. 84–152.
P.V. Smith and J.E. Szymanski, Vacuum 33 (1983)625–626.
J.E. Szymanski, P.V. Smith and J.A.D. Matthew, Phil. Mag. B51 (1985)193–198.
P.V. Smith and J.E. Szymanski, Phys. Stat. Sol. (b) 134 (1986)185–194.
G. Náray-Szabó, Gy. Kramen, P. Nagy and S. Kugler, J. Comput. Chem. 8 (1987)555–561.
S. Kugler, P.R. Surján and G. Náray-Szabó, Phys.Rev. B37 (1988)9069–9071.
M. Révész, I. Bertópti, G. Mink and I. Mayer, J. Mol. Struct. (THEOCHEM) 181 (1988)335–343.
J.F. Moray, F.J. Himpsel, G. Hollinger, J.L. Jordan, G. Hughes and F.R. McFeely, Phys. Rev. B33 (1986)1340–1345.
J.F. Morar, F.J. Himpsel, G. Hollinger, J.L. Jordan, G. Hughes and F.R. McFeely, Phys. Rev. B33 (1986)1346–1349.
R.C. Haddon and L.T. Scott, Pure Appl. Chem. 58 (1986)137–142.
R.C. Haddon, J. Amer. Chem. Soc. 108 (1986)2837–2842.
R.C. Haddon, Chem. Phys. Lett. 125 (1986)231–234.
R.C. Haddon, J. Phys. Chem. 91 (1987)3719–3720.
I. László and Cs. Menyes, Phys. Rev. B44 (1991)7730–7732.
I. László and Cs. Menyes, to be published.
A. Graovac, I. Gutman and N. Trinajstic,Topological Approach to Chemistry of Conjugated Molecules (Springer, Berlin, 1977).
M.J. Rigby, R.B. Mallion and A.C. Day, Chem. Phys. Lett. 51 (1977)178–182; see also erratum in Chem. Phys. Lett. 53(1978)418.
J.C. Slater and G.F. Koster, Phys. Rev. 94 (1954)1498–1524.
D.A. Papaconstantopoulos,Handbook of The Band Structure of Elemental Solids (Plenum Press, New York, 1986), pp. 233–234.
P.-O. Löwdin J. Mol. Spectr. 12 (1963)12–33.
P.-O. Löwdin, Int. J. Quant. Chem. 2 (1968)867–931.
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László, I. Embedding by pseudo atoms, and the topologically determined one-electronic energy levels. J Math Chem 10, 303–311 (1992). https://doi.org/10.1007/BF01169179
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DOI: https://doi.org/10.1007/BF01169179