Abstract
Electron density functional theory (DFT) [1], in its usual local Kohn-Sham (KS) form [2] and in various gradient-corrected forms, has been instrumental in our understanding of the properties of real surfaces. Examples of the detailed information thus available are shown in the electron density maps of Figure 1 below [3,4].
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References
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
D. Tomanek, Z. Sun, and S.G. Louie, Phys. Rev. B 43, 4699 (1991).
J.R. Chelikowsky, M. Schlüter, S.G. Louie and M.L. Cohen, Solid State Commun. 17, 1103 (1975).
B. Hammer, K.W. Jacobsen, and J.K. Norskov, Phys. Rev. Lett. 70, 3971 (1993).
N.D. Lang and W. Kohn, Phys. Rev. B 1, 4555 (1970).
N.D. Lang, 1973 Solid State Phys. 28, 225 (1973).
E. Gwinn, R.M. Westervelt, P.F. Hopkins, R.M. Rimberg, M. Sundaram, and A.C. Gossard, Phys. Rev. B 39, 6260 (1989).
L. Brey, N.F. Johnson and B.I. Halperin, Phys. Rev. B 40, 10647 (1989).
L. Brey, J. Dempsey, N.F. Johnson and B.I. Halperin, Phys. Rev. B 42, 1240 (1990).
D.A. Broido, P. Bakshi and K. Kempa, Solid State Commun. 76, 613 (1990).
P.R. Pinsukanjana, E.G. Gwinn, J.F. Dobson, E.L. Yuh, N.G. Asmar, M. Sundaram, and A.C. Gossard, Phys. Rev. B 46, 7284 (1992).
J.F. Dobson, Phys. Rev. B 46, 10163 (1992).
J.F. Dobson, Australian J. Phys. 46, 391 (1993).
E. L. Yuh, E.G. Gwinn, P.R. Pinsukanjana, W.L. Schaich, P.F. Hopkins, and A.C. Gossard, Phys. Rev. Lett. 71, 2126 (1993).
G. Bastard, Phys. Rev. B 24, 5693 (1981).
M.R. Geller and W. Kohn, Phys. Rev. Lett. 70, 3103 (1993).
R.M. Dreizler and E.K.U. Gross, Density Functional Theory, Springer Verlag, Berlin, 1990.
E.K.U. Gross and S. Kurth, in Relativistic and electron Correlation Effects in Molecules and Solids, edited by G.L. Malli, Plenum, New York 1993.
G.D. Mahan, Many-Particle Physics, Second Edition, Plenum, New York 1990.
D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
D.C. Langreth and J.P. Perdew, Phys. Rev. B 15, 2884 (1977).
J.P. Perdew, D.C. Langreth and V. Sahni, Phys. Rev. Lett. 38, 1030 (1977).
D.C. Langreth and J.P. Perdew, Solid State Commun. 31, 567 (1979).
M. Rasolt, G. Malmstrom and D.J.W. Geldart, Phys. Rev. B 20, 3012 (1979).
D.C. Langreth and J.P. Perdew, Phys. Rev. B 21, 5469 (1980).
D.J.W. Geldart and M. Rasolt, Phys. Lett. 88A, 121 (1982).
M. Rasolt and D.J.W. Geldart, Phys. Rev. B 25, 5133 (1982).
D.C. Langreth and J.P. Perdew, Phys. Lett. 92A, 451 (1982).
D.C. Langreth and J.P. Perdew, Phys. Rev. B 26, 2810 (1982).
D.C. Langreth and MJ. Mehl, Phys. Rev. Lett. 47, 446 (1981).
D.C. Langreth and MJ. Mehl, Phys. Rev. B 28, 1809 (1983).
D.J.W. Geldart and M. Rasolt, in Strongly Correlated Electron Systems, edited by D. Neilson and M.P. Das, Nova, New Jersey 1992.
J.P. Perdew, Phys. Rev. Lett. 55, 1665 (1985).
J.P. Perdew and Wang Yue, Phys. Rev. B 33, 8800 (1986).
J.P. Perdew, Phys. Rev. B 33, 8822 (1986).
A.D. Becke, Phys. Rev. A 38, 3098 (1988).
A.D. Becke and M.R. Roussel, Phys. Rev. A 39, 3761 (1989).
A.D. Becke, J. Chem. Phys. 88, 1053 (1988).
J.P. Perdew, Physica B 172, 1 (1991).
J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
J.D. Jackson, Classical electrodynamics, Wiley 1972.
E. Runge and E.K.U. Gross, Phys. Rev. Lett. 52, 997 (1984).
E.K.U. Gross and W. Kohn, Phys. Rev. Lett. 55, 2850 (1985).
E.K.U. Gross and W. Kohn, Phys. Rev. Lett. 57, 923 (1986).
N. Iwamoto and E.K.U. Gross, Phys. Rev. B 35, 3003 (1987) 40.
T. Ando, Z. Phys. B 26, 263 (1977).
A. Zangwill and P. Soven, Phys. Rev. A 21, 1561 (1980).
S.C. Ying, J.R. Smith and W. Kohn, J. Vac. Sci. Tech. 9, 575 (1972).
J.R. Smith, Phys. Rev. 181, 522 (1969).
J.F. Dobson and H.M. Le., unpublished.
J. Bardeen Phys, Rev. 49, 653 (1936).
N.D. Lang and W. Kohn, Phys. Rev. B 3, 1215 (1971).
Z.Y. Zhang, D.C. Langreth and J.P. Perdew, Phys. Rev. B 41, 5674 (1990).
W.R. Tyson, R.A. Ayres and D.F. Stein, Acta Metall. 21, 621 (1973).
W.R. Tyson and W.A. Miller, Surf. Sci. 62, 267 (1977).
H. Wawra, Z. Metallkunde 66, 395 (1975).
H. Wawra, Z. Metallkunde 492 (1975).
H.B. Huntington, Phys. Rev. 81, 1035 (1959).
R. Monnier and J.P. Perdew, Phys. Rev. B 17, 2595 (1978).
J.H. Rose and J.F. Dobson, Solid State Commun. 37, 91 (1981).
J.F. Dobson and J.H. Rose, J. Phys. C: Solid State Phys. 15, 7429 (1982).
K.M. Ho and K.P. Bohnen, Phys. Rev. B 32, 3446 (1985).
C.A. Utreras-Diaz and H.B. Shore, Phys. Rev. Lett. 53, 2335 (1984).
C.A. Utreras-Diaz and H.B. Shore, Phys. Rev. B 40, 10345 (1989).
H.B. Shore and J.H. Rose, Phys. Rev. Lett. 66, 2519 (1991).
H.B. Shore and J.H. Rose, Phys. Rev. B 43, 11605 (1991).
J.P. Perdew, H.Q. Tran and E.D. Smith, Phys. Rev. B 42, 11627 (1990).
A. Kiejna, Surf. Sci. 287/288, 618 (1993).
J.F. Dobson and J.H. Rose, unpublished.
D.C. Langreth and J.P. Perdew, Solid State Commun. 17, 1425 (1975).
O. Gunnarsson & B.I. Lundqvist, Phys. Rev. B 13, 4274 (1976).
J. Harris and R.O. Jones, J. Phys. F: Metal Phys. 4, 1170 (1974).
E. Wikborg and J.E. Inglesfield, Solid State Commun. 16, 335 (1975).
X.P. Li, R.J. Needs, R. M. Martin, and D.M. Ceperley, Phys. Rev. B 45, 6142, (1992).
X. Sun, M. Farjam, and C.W. Woo, Phys, Rev. B 28, 5599 (1983).
E. Krotschek, W. Kohn and G.X. Qian, Phys. Rev. B 32, 5693 (1985).
E. Krotschek and W. Kohn, Phys. Rev. Lett. 57, 862 (1986).
P. Summerside and J. Mahanty, Solid State Commun. 28, 825 (1978).
A.G. Eguiluz, D.A. Campbell, A.A. Maradudin, and F. Wallis, Phys. Rev. B 30, 5449 (1984).
J.F. Dobson, in Condensed Matter Physics (Proceedings of the Second Physics Summer School, Australian National University, Canberra, January 1989), eds. J. Mahanty and M.P. Das, World Scientfic, Singapore 1989.
L.J. Sham and M. Schlüter, Phys. Rev. Lett. 56, 2415 (1983).
A.G. Eguiluz, M. Heinrichsmeier, A. Fleszar and W. Hanke, Phys. Rev. Lett. 68, 1359 (1992).
A.G. Eguiluz, J.J. Diesz, M. Heinrichsmeyer, A. Fleszar and W. Hanke, Int. J. Quant. Chem. Symp. 26, 837 (1992).
M.K. Harbola and V. Sahni, to appear in Int. J. Quant. Chem. Symp. (1993).
O. Gunnarsson and R.O. Jones, Physica Scripta 21, 394 (1980).
R.O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989).
S. Ossicini and C.M. Bertoni, Europhys. Lett. 1, 661 (1986).
E. Chacon and P. Tarazona, Phys. Rev. B 37, 4020 (1988).
S. Ossicini, F. Finocchi, and CM. Bertoni, Surf. Sci. 189/90, 776 (1987).
J.P. Perdew, Y. Wang, and E. Engel, Phys. Rev. Lett. 66, 508 (1991).
N. Nefari and M.P. Das, J. Phys. Chem. Solids 49, 997 (1988).
P. Ziesche, R. Kaschner, and N. Nefari, Phys. Rev. B 41, 10553 (1990).
P. Ziesche, R. Kästner, and G. Senatore, Phys. Rev. B 42, 9158 (1990).
J.P. Perdew, P. Ziesche, and C. Fiolhais, Phys. Rev. B 47, 16460 (1993).
E. Engel and J.P. Perdew, Phys. Rev. B 43, 1331 (1991).
W. Ekardt, Phys. Rev. B 29, 1558 (1984).
H.J. Levinson, E.W. Plummer, and P.J. Feibelman, Phys. Rev. Lett. 43, 952 (1979).
B. Trninic-Radja and M. Sunjic, Phys. Rev. B 42, 7409 (1990).
L. Zheng, W.L. Schaich and A.H. MacDonald, Phys. Rev. B 41, 8493 (1990).
E. Gwinn and E. Yuh, private communication 1993.
K.D. Tsuei, E.W. Plummer, and P.J. Feibelman, Phys. Rev. Lett. 63, 2256 (1989).
P.J. Feibelman, Phys. Rev. B 2, 220 (1970).
J. Harris and A. Griffin, Phys. Lett. A 34, 51 (1971).
K. Karrai, H.D. Drew, M.W. Lee, and M. Shayegan, Phys. Rev. B 39, 1426 (1989).
K. Karrai, X. Ying, H.D. Drew, and M. Shayegan, Phys. Rev. 40, 12020 (1989).
W.L. Schaich and J.F. Dobson, Phys. Rev. B 49, 14700 (1994).
J.F. Dobson, Phys. Rev. Lett. 73, 2244 (1994).
PJ. Feibelman, Phys. Rev. B 9, 5077 (1974).
A. Liebsch, Phys. Rev. B 36, 7378 (1987).
A.A. Quong and A.G. Eguiluz, Phys. Rev. Lett. 70, 3955 (1993).
O. Heinonen and W. Kohn, Phys. Rev. B 48, 12240 (1993).
A. vom Felde, J. Sprosser-Prou, and J. Fink, Phys. Rev. B 40, 10181 (1989).
G. Kaiman, K. Kempa, and M. Minella, Phys. Rev. B43, 14238 (1991).
A. Eguiluz, S.C. Ying, and J.J. Quinn, Phys. Rev. B 11, 2118 (1975).
C. Schwartz and W.L. Schaich, Phys. Rev. B 30, 1059 (1984).
J. F. Dobson and G. H. Harris, J. Phys. C: Solid State Phys. 21, L729 (1988).
J.F. Dobson, G.H. Harris, and A.J. O’Connor, J. Phys. Condens. Matter 2, 6461 (1990).
K.D. Tsuei, E.W. Plummer, A. Liebsch, K. Kempa, and P. Bakshi, Phys. Rev. Lett. 64, 44 (1990).
G. Barton, Rep. Prog. Phys. 42, 964 (1979).
A. Eguiluz, Phys. Rev. B 19, 1689 (1979).
E. Zaremba and H.C. Tso, Phys. Rev. B 49, 8147 (1994).
A. Chizmeshya and E. Zaremba, Phys. Rev. B 37, 2895 (1988).
J. Dempsey and B.I. Halperin, Phys. Rev. B 45, 1719 (1992).
PJ. Feibelman, Prog. Surf. Sci. 12, 287 (1982).
A.G. Eguiluz, Phys. Rev. Lett. 20, 1907 (1983).
J.F. Dobson and G. H. Harris, J. Phys. C: Solid State Phys. 19, 3971 (1986).
K. Kempa, A. Liebsch, and W.L. Schaich, Phys. Rev. B 38, 12645 (1988).
K. Kempa, D.A. Broido, C. Beckwith, and J. Cen, Phys. Rev. B 40, 8385 (1989).
W. Kohn, Phys. Rev. 123, 1242 (1961).
R.M Dreizler, private communication 1993.
G.F. Bertsch, Nucl. Phys. A249, 253 (1975).
J.F. Dobson, unpublished.
J. Harris and A. Griffin, Phys. Rev. B 11, 3669 (1975).
J. Mahanty and B.W. Ninham, Dispersion Forces, Academic Press, London 1976.
E. Zaremba and W. Kohn, Phys. Rev. B 13, 2270 (1976).
A. Maggs and N.W. Ashcroft, Phys. Rev. Lett. 59, 113 (1987).
N.W. Ashcroft, Nuovo Cimento 12D, 597 (1990).
N.W. Ashcroft, Phil. Trans. Roy. Soc. London, 334, 407 (1991).
K. Rapkiewicz and N.W. Ashcroft, Phys. Rev. B 44, 4032 (1991).
J.F. Dobson, in Topics in Condensed Matter Physics, edited by M. Das, Nova, New York 1994.
S. Chakravarty, M.B. Fogel, and W. Kohn, Phys. Rev. Lett. 43, 775 (1979).
J.F. Dobson, unpublished.
J.F. Dobson and G.H. Harris, J. Phys. C: Solid State Phys. 20, 6127 (1987).
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Dobson, J.F. (1995). Metallic Surfaces and Density Functional Theory. In: Gross, E.K.U., Dreizler, R.M. (eds) Density Functional Theory. NATO ASI Series, vol 337. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-9975-0_16
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