Abstract
This chapter has two principal aims, one tutorial and the other critical. The first is to illuminate as much as possible of the physics of chemisorption through simple models which allow transparent calculations. The second goal, which is somewhat more elusive, is to examine just how valid and relevant various models and theoretical methods are—what questions they can answer, how accurately they do so, and what insight they give us. Although in a sense, the tutorial part of the chapter belongs at the beginning of a book like this and the critical part at the end, combining the material in a single chapter allows a coherent review of the essential theoretical aspects of the problem of chemisorption. These aims also give this chapter a flavor somewhat different from that of the rest of the book. We are more concerned with qualitative than quantitative answers (and questions).
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
J.C. Slater: Phys. Rev. 81,385 (1951)
P.O. Löwdin (ed.): Advances in Quantum Chemistry ,Vol.6 (Academic Press, New York 1971)
W. Kohn, L.J. Sham: Phys. Rev. 140 ,1133 (1965)
W. Kohn, L.J. Sham: Phys. Rev. 145,561 (1966)
P. Hohenberg, W. Kohn: Phys. Rev. 136 ,B 864 (1964)
O. Gunnarsson, B.I. Lundqvist, J.W. Wilkins: Phys. Rev. B 10 ,1319 (1974)
J.C. Stoddard, N.H. March: Ann. Phys. 64 ,174 (1971)
N. von Barth, L. Hedin: J. Phys. C 5 ,1629 (1972)
A.K. Rajagopal, J. Callaway: Phys. Rev. B 7 ,1912 (1973)
S.K. Ma, K.A. Brueckner: Phys. Rev. 165,18 (1968)
F. Herman, J.P. Van Dyke, I.B. Ortenburger: Phys. Rev. Lett. 22 ,807 (1969)
D.J.W. Geldart, M. Rasolt, R. Taylor: Solid State Commun. 10 ,279 (1972)
D.J.W. Geldart, M. Rasolt: Phys. Rev. B 13,1477 (1976)
O. Gunnarson, M. Jonson, B.I. Lundqvist: Phys. Lett. A 59, 177 (1976)
D.C. Langreth, sJ.P. Perdew: Solid State Commun. 17,1425 (1975)
N.D. Lang, A.R. Williams: Phys. Rev. Lett. 37, 212 (1976)
P.W. Anderson: Phys. Rev. 124,41 (1961)
D.M. Edwards, D.M. Newns: Phys. Lett. 24A ,236 (1967)
D.M. Newns: Phys. Rev. 178,1123 (1969)
T.B. Grimley: J. Phys. C 3 ,1934 (1970)
T.L. Einstein: Phys. Rev. B 12,1262 (1975)
S.K. Lyo, R. Gomer: Phys. Rev. B 10,4161 (1974)
S.K. Lyo, R. Gomer: in Interactions on Metal Surfaces ,ed. by R. Gomer, Topics in Applied Physics, Vol.4 (Springer, Berlin, Heidelberg, New York 1975) Chap.2
D. Kalkstein, P. Soven: Surf. Sci. 26,85 (1971)
T.L. Einstein, J.R. Schrieffer: Phys. Rev. B 7 ,3629 (1973)
J.W. Gadzuk: In Surface Physics of Materials ,ed. by J.M. Blakely (Academic Press, New York 1975)
J.W. Gadzuk: Surf. Sci. 43 ,44 (1974)
J.W. Gadzuk: Phys. Rev. B 10 ,5030 (1974)
These effects have been discussed from a point of view similar to the one we take here by A. Madhukar: IBM Research Dept. RC5413 (unpublished)
R.T.H. Voorhoeve: AIP Conf. Proc. 18,19 (1974)
T.B. Grimley, C. Pisani: J. Phys: C.7, 2831 (1974)
T.B. Grimley, E.E. Mola: J. Phys. C 9 ,3437 (1976)
R. Gomer: Accounts of Chemical Research 8 ,420 (1975)
J.R. Schrieffer: In Dynamic Aspects of Surface Physics ,ed. by F.O. Goodman, Proc. Enrico Femi Summer School, Varenna, 1973 (Italian Physical Society, 1974)
B. Gumhalter, D. Newns: Phys. Lett. 57A ,423 (1976)
H. Kranz, A. Griffin: To be published
H. Kranz: thesis, University of Toronto (1977)
W. Brenig: Z. Phys. B 20 ,55 (1975)
K. Schbnhammer: Solid State Commun. 22,51 (1977)
A. Bagchi, M.H. Cohen: Phys. Rev. B 9 ,4103 (1974)
P.O. Löwdin: J. Chem. Phys. 18,365 (1950)
J.J. Rehr, W. Kohn: Phys. Rev. B 10 ,448 (1975)
J.G. Gay, J.R. Smith: Phys. Rev. B 11,907 (1975)
For reviews see P.W. Anderson, G. Yuval: In Magnetism ,Vol.5, ed. by H. Suhl (Academic Press, New York 1973) Chap.7
K.G. Wilson: Rev. Mod. Phys. 47 ,773 (1975)
G. Grliner, A. Zawadowski: Repts. Progr. Phys. 37,1497 (1974)
A useful review is given by D.L. Mills, M.T. Beal-Monod, P. Lederer: In Magnetism ,Vol.5, ed. by H. Suhl (Academic Press, New York 1973) Chap.3
M.C. Gutzwiller: Phys. Rev. Lett. 10 ,159 (1963)
M.C. Gutzwiller: Phys. Rev. 134 ,A923 (1964)
M.C. Gutzwiller: Phys. Rev. 137 ,A1726 (1975)
A.C. Hewson: Phys. Rev. 144,420 (1966)
J. Hubbard: Proc. Roy. Soc. A 276 ,238 (1963)
J. Hubbard: Proc. Roy. Soc. A 281 ,401 (1964)
J.R. Schrieffer, R. Gomer: Surf. Sci. 25 ,315 (1971)
R.H. Paulson, J.R. Schrieffer: Surf. Sci. 48 ,329 (1975)
A. Bagchi, M. Cohen: Phys. Rev. B 13,5351 (1975)
See, e.g., D. Mattis: The Theory of Magnetism (Harper and Row, New York 1965) Chap.2
P. Nozieres: J. Low Temp. Phys. 17,31 (1974)
J.A. Hertz, J. Handler: Phys. Rev. B 15,4667 (1977)
J.A. Hertz, D.M. Edwards: Phys. Rev. Lett. 28 ,1334 (1972)
J.A. Hertz, D.M. Edwards: J. Phys. F 3 ,2174, 2191 (1973)
S. Doniach, S. Engelsberg: Phys. Rev. Lett. 17,750 (1966)
W. Brinkman, S. Engelsberg: Phys. Rev. 169 ,417 (1968)
Such an approach has been used in the related problem of valence fluctuations by F.D.M. Haldane: Phys. Rev. B 15,281, 2477 (1977)
See, e.g., S. Doniach: Adv. Phys. 18,819 (1969)
B. Velicky, S. Kirkpatrick, H. Ehrenreich: Phys. Rev.175 ,747 (1968)
K. Levin, K. Benneman: Phys. Rev. B 5 ,3770 (1972)
A. Oguchi: Progr. Theor. Phys. 43,257 (1970)
W. Brenig, K. Schönhammer: Z. Phys. 267 ,201 (1974)
A. Madhukar, B. Bell: Phys. Rev. Lett. 34,1631 (1975)
A. Madhukar, B. Bell: Phys. Rev. B 14 ,4281 (1976)
E. Anda, N. Majlis, D. Grenupel: J. Phys. C 10,2365 (1977)
J.R. Schrieffer, P.A. Wolff: Phys. Rev. 149 ,491 (1966)
P. Schuck: Phys. Rev. B 13,5225 (1976)
H. Keiter, J. Kimball: Int. J. Magnetism 1,233 (1971)
W. Brinkman, T.M. Rice: Phys. Rev. B 2 ,4302 (1970)
K. Schönhammer: Z. Phys. B 21,389 (1975)
K. Schönhammer: Phys. Rev. B 13,4336 (1976)
T.L. Einstein: Phys. Rev. B 11,577 (1975)
A more complete discussion is given in T.L. Einstein: CRC Crit. Rev. in Solid State and Mat. Sci. 7 ,260 (1978)
A more complete discussion is given in T.L. Einstein: Ph.D. dissertation, Univ. of Pennsylvania (1973), unpublished
R. Gomer: Solid State Phys. 30 ,93 (1975)
W. Kohn, K.H. Lau: Solid State Commun. 18,553 (1976)
J.W. Davenport, T.L. Einstein, J.R. Schrieffer, P. Soven: In The Physical Basis for Heterogeneous Catalysis ,ed. by E. Drauglis, R.I. Jaffee (Plenum Press, New York 1975) p.295
C.F. Melius, J.W. Moskowitz, A.P. Mortola, M.B. Baillie, M.A. Ratner: Surf. Sci. 59 ,279 (1976)
J.R. Schrieffer: J. Vac. Sci. Technol. 13,335 (1976)
E.A. Hyman: Phys. Rev. B 11,3739 (1975)
J.O. Hirschfelder, C.F. Curtiss, R.B. Bird: Molecular Theory of Gases and Liquids (John Wiley, New York 1954)
Henry Margenau: J. Chem. Phys. 9 ,896 (1938)
J.A. Barker, R.O. Watts, J.K. Lee, T.P. Schafer, Y.T. Lee: J. Chem. Phys. 61 ,3081 (1974)
B.M. Axilrod, E. Teller: J. Chem. Phys. 11,299 (1943)
Y. Muto: Proc. Phys. Math. Soc. Jpn 17,629 (1943)
O. Sinanoglu, K.S. Pitzer: J. Chem. Phys. 32,1279 (1960)
A.D. McLachlan: Mol. Phys. 7 ,381 (1964)
T.B. MacRury, B. Linder: J. Chem. Phys. 54 ,2056 (1971)
D.L. Freeman: J. Chem. Phys. 62 ,4300 (1975)
L.W. Bruch, P.I. Cohen, M.B. Webb: Surf. Sci. 59 ,1 (1976)
J.J. Rehr, E. Zaremba, W. Kohn: Phys. Rev. B 12,2062 (1975)
M.A. Ruderman, C. Kittel: Phys. Rev. 96 ,99 (1954)
T. Kasuya: Prog. Theor. Phys. (Kyoto) 16,45 (1956)
K. Yosida: Phys. Rev. 106 ,893 (1957)
J.H. Van Vleck: Rev. Mod. Phys. 34,681 (1962)
G.F. Koster: Phys. Rev. 94,1498 (1954)
K. Gottfried: Quantum Mechanics I (W.A. Benjamin, New York 1966) P-382
N.R. Burke: Surf. Sci. 58 ,349 (1976)
J.C. Slater, G.F. Koster: Phys. Rev. 94,1498 (1954)
G. Allan: Ann. Phys. (Paris) 5 ,169 (1970)
C. Brunei, G. Allan: Surf. Sci. 39 ,385 (1973)
M. Leynaud, G. Allan: Surf. Sci. 53 ,359 (1975)
W. Ho, S.L. Cunningham, W.H. Weinberg: Surf. Sci. 62 ,662 (1977)
T.B. Grimley, M. Torrini: J. Phys. C 6 ,868 (1973)
T.B. Grimley: Ber. Bunsenges. Phys. Chem. 75 ,1003 (1971)
T.B. Grimley, S.M. Walker: Surf. Sci. 14 ,395 (1969)
K.C. Pandey: Phys. Rev. B 14 ,1557 (1976)
K. Schönhammer, V. Hartung, W. Brenig: Z. Phys. B 22 ,143 (1975)
K. Binder, D.P. Landau: Surf. Sci. 61 ,577 (1976)
B. Mihura, D.P. Landau: Phys. Rev. Lett. 38 ,977 (1977)
K. Binder, (ed.): Monte Carlo Methods in Statistical Physics ,Topics in Current Physics, Vol.7 (Springer, Berlin, Heidelberg, New York 1979)
E. Domany, M. Schick, J.S. Walker: Phys. Rev. Lett. 38 ,1148 (1977)
A.N. Berker, S. Ostland, F.A. Putnam: Phys. Rev. B 17,3650 (1978)
S. Krinsky, D. Mukamel: Phys. Rev. B 16 ,2313 (1977)
E. Domany, E.K. Riedel: Phys. Rev. Lett. 40 ,561 (1978)
T.M. Lu, G.C. Wang, M.G. Lagally: Phys. Rev. Lett. 39 ,411 (1977)
M.G. Lagally: CRC Crit. Rev. in Solid State and Mat. Sci. 7 ,233 (1978)
W.Y. Ching, D.C. Huber, M.G. Lagally, G.C. Wang: Surf. Sci. 77 ,550 (1978)
A. Liebsch: Phys. Rev. B 11 ,577 (1975)
N. Kar, P. Soven: Solid State Commun. 20, 911 (1976)
E.W. Plummer: In Interactions on Metal Surfaces ,ed. by R. Gomer, Topics in Applied Physics, Vol.4 (Springer, Berlin, Heidelberg, New York 1975) Chap.5
S.L. Weng, E.W. Plummer, T. Gustafsson: Phys. Rev. B 18 ,1718 (1978)
P.J. Feibelman, D.E. Eastman: Phys. Rev. B 10 ,4932 (1974)
T.L. Einstein: Surf. Sci. 45 ,713 (1974)
C.N. Berglund, W.E. Spicer: Phys. Rev. 136 ,A 1030 (1964)
C.N. Berglund, W.E. Spicer: Phys. Rev. 136 ,A 1044 (1964)
W.L. Schaich, N.W. Ashcroft: Solid State Commun. 8 ,1959 (1970)
W.L. Schaich, N.W. Ashcroft: Phys. Rev. B 3 ,2452 (1971)
A. Liebsch: Phys. Rev. Lett. 32,1203 (1974)
A. Liebsch: Phys. Rev. B 13 ,544 (1976)
A. Liebsch: Solid State Commun. 19 ,1193 (1976)
J.B. Pendry: Surf. Sci. 57,679 (1976)
S.Y. Tong, C.M. Li, A.R. Lubinsky: Phys. Rev. Lett. 39 ,498 (1977)
I. Adawi: Phys. Rev. 134 ,A 788 (1964)
G.D. Mahan: Phys. Rev. B 2 ,4334 (1970)
C. Caroli, D. Lederer-Rozenblatt, B. Roulet, D. Saint-James: Phys. Rev. B 8 ,4552 (1973)
L.V. Keldysh: Zh. Eksp. Teor. Fiz. 47,1515 (1964)
H. Keiter: Z. Phys. B 30 ,167 (1978)
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1980 Springer-Verlag Berlin Heidelberg
About this chapter
Cite this chapter
Einstein, T.L., Hertz, J.A., Schrieffer, J.R. (1980). Theoretical Issues in Chemisorption. In: Smith, J.R. (eds) Theory of Chemisorption. Topics in Current Physics, vol 19. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-81431-0_7
Download citation
DOI: https://doi.org/10.1007/978-3-642-81431-0_7
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-81433-4
Online ISBN: 978-3-642-81431-0
eBook Packages: Springer Book Archive