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Volumn 28, Issue C, 1974, Pages 225-300

The Density-Functional Formalism and the Electronic Structure of Metal Surfaces

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EID: 77956944298     PISSN: 00811947     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S0081-1947(08)60204-0     Document Type: Article
Times cited : (388)

References (239)
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    • A discussion of the consistency of such local exchange approximations with the virial theorem has been given by
    • Sham, L.J., Phys. Rev. A, 1, 1970, 969 A discussion of the consistency of such local exchange approximations with the virial theorem has been given by.
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    • It is sometimes proposed that the exchange-correlation potentials discussed here be parameterized. See, e.g.
    • Herman, F., Van Dyke, J.P., Ortenburger, I.B., Phys. Rev. Lett., 22, 1969, 807 It is sometimes proposed that the exchange-correlation potentials discussed here be parameterized. See, e.g.
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    • An example of the application of this scheme to a metal (in addition to the work on surfaces discussed below) is given by
    • Tong, B.Y., Phys. Rev. B, 6, 1972, 1189 An example of the application of this scheme to a metal (in addition to the work on surfaces discussed below) is given by.
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    • Cf. also, e.g.
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    • has discussed the work function experienced by thermal positrons.
    • Tong, B.Y., Phys. Rev. B, 5, 1972, 1436 has discussed the work function experienced by thermal positrons.
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    • Such a partitioning was first recognized by
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    • Low Energy Electron Diffraction
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    • C.B. Duke U. Landman “Low Energy Electron Diffraction.” Academic Press New York, to be published].
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    • M. B. Webb and M. G. Lagally [Solid State Phys. (this volume)].
    • J.B. Pendry Low Energy Electron Diffraction and M. B. Webb and M. G. Lagally [Solid State Phys. (this volume)].
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    • We exclude the possibility of ground states of the type discussed by
    • Overhauser, A.W., Phys. Rev., 167, 1968, 691 We exclude the possibility of ground states of the type discussed by.
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    • Ph. D. Thesis University of California, San Diego, (Chapter 3, unpublished).
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    • Another example of the importance of gradient terms in statistical theories has been presented and analyzed by)] (stability of molecules).
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    • This calculation contains some errors, as noted by
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    • Chapter 2
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    • Warner, C., Thermionic Conversion Specialists Conference, San Diego 1971, 1972, Institute of Electrical and Electronics Engineers, New York Such a calculation has been performed recently by.
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    • Smith's procedure has been used to study metal-dielectric interfaces by
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    • The best agreement of course is found in the case of simple metals. Among the noble metals, agreement is acceptable for Ag but poor for Au and Cu (using recent experimental values [; among the transition metals, agreement is acceptable for metals like Ta near the beginning of a series but poor for metals like Pt at the end. The behavior of the noble metals accords with the fact that the top of the d band is just 2 eV below the Fermi level in Au and Cu, but 4 eV down in Ag. The behavior of the transition metals is probably explicable [as recognized by J. R. Smith (to be published)] by the fact that the one-electron wave functions at the bottom of the d band exhibit much less localization about the ions than do those at the top
    • Eastman, D.E., Phys. Rev. B, 2, 1970, 1 The best agreement of course is found in the case of simple metals. Among the noble metals, agreement is acceptable for Ag but poor for Au and Cu (using recent experimental values [; among the transition metals, agreement is acceptable for metals like Ta near the beginning of a series but poor for metals like Pt at the end. The behavior of the noble metals accords with the fact that the top of the d band is just 2 eV below the Fermi level in Au and Cu, but 4 eV down in Ag. The behavior of the transition metals is probably explicable [as recognized by J. R. Smith (to be published)] by the fact that the one-electron wave functions at the bottom of the d band exhibit much less localization about the ions than do those at the top.
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    • Compare also the work of Bennett and Duke on bimetallic interfaces
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    • Phys. Rev. B, 5, 1972, 475.
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    • (average of high-coverage-limit work functions for Na deposited on three different faces of Ni)
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    • Stanford Electronics Laboratories (unpublished)
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    • (average of high-coverage work functions for Li deposited on various faces of W and Re)
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    • Discussions of the experimental situation for solids are given by
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    • A recent paper discussing cleavage experiments is
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    • Pergamon Oxford The measurement of liquid-metal surface tensions is discussed by, e.g.
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    • Stratton, R., Phil. Mag., 44(7), 1953, 1236.
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    • Such a calculation has been performed for the nuclear surface by
    • Swiatecki, W.J., Proc. Phys. Soc, London, Sect. A, 64, 1951, 226 Such a calculation has been performed for the nuclear surface by.
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    • See comments in and
    • See comments in Lang and Kohn. 32.
    • Lang1    Kohn2
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    • have recently studied lattice effects on the bulk and surface contributions to separately using pseudopotential theory and experimental data. Their definitions of and different from those of Section 5a (see Note Added in Proof at the end of this article).
    • Heine, V., Hodges, C.H., J Phys. C, 5, 1972, 225 have recently studied lattice effects on the bulk and surface contributions to separately using pseudopotential theory and experimental data. Their definitions of and different from those of Section 5a (see Note Added in Proof at the end of this article).
    • (1972) J Phys. C , vol.5 , pp. 225
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    • The exception to this is the work of cf. also J. R. Smith.100, 157.
    • The exception to this is the work of M. Kaplit 158; cf. also J. R. Smith.100, 157.
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    • Phys. Rev. B, 5, 1972, 2863.
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    • E. Drauglis R.D. Gretz R.I. Jaffee McGraw-Hill New York
    • Gerlach, E., Drauglis, E., Gretz, R.D., Jaffee, R.I., (eds.) Molecular Processes on Solid Surfaces, 1969, McGraw-Hill, New York, 181.
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    • Gerlach, E.1
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    • cf. also
    • cf. also Feibelman et al.21.
    • Feibelman1
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    • Sov. Phys.–JETP, 31, 1970, 308.
    • (1970) Sov. Phys.–JETP , vol.31 , pp. 308
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    • Sov. Phys.–JETP, 27, 1968, 434.
    • (1968) Sov. Phys.–JETP , vol.27 , pp. 434
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    • We also mention several additional papers that discuss the image potential
    • Bardeen, J., Phys. Rev., 58, 1940, 727 We also mention several additional papers that discuss the image potential:.
    • (1940) Phys. Rev. , vol.58 , pp. 727
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    • 188).
    • 188).
    • Ying1
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    • Private communication;
    • Private communication; J.R. Smith et al. 156.
    • Smith, J.R.1
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    • There has been some controversy concerning the size of this effect as seen experimentally. See (to be published).
    • There has been some controversy concerning the size of this effect as seen experimentally. See J.W. Gadzuk E.W. Plummer Rev. Mod. Phys. (to be published).
    • Rev. Mod. Phys.
    • Gadzuk, J.W.1    Plummer, E.W.2
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    • c in Table II of this paper, and the agreement with experiment once lattice effects are included.
    • c in Table II of this paper, and the agreement with experiment once lattice effects are included.
    • Lang1    Kohn2


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